data_1u7j_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 1u7j _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 ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 120.491 0.186 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -78.64 -21.22 48.71 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.336 1.854 . . . . 0.0 114.218 -171.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.47 -36.7 74.12 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.305 1.042 . . . . 0.0 112.975 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.43 -27.15 66.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 113.363 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -80.5 -44.54 18.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.85 0.86 . . . . 0.0 111.629 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.07 -50.91 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.743 1.617 . . . . 0.0 111.379 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -71.87 4.79 3.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.54 -41.48 4.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.631 1.173 . . . . 0.0 111.824 164.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.18 -46.76 76.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.327 0.967 . . . . 0.0 111.556 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.19 -29.51 64.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.113 -0.992 . . . . 0.0 112.838 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -42.06 86.54 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.255 -0.903 . . . . 0.0 111.963 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.93 96.98 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 122.971 0.508 . . . . 0.0 111.251 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ttm -54.19 -44.99 72.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.638 0.775 . . . . 0.0 112.613 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -49.67 -33.59 16.15 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.416 2.287 . . . . 0.0 113.577 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.43 -39.62 9.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 126.703 2.001 . . . . 0.0 111.51 -175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.49 -33.2 71.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.67 0.788 . . . . 0.0 112.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -20.61 48.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.751 1.22 . . . . 0.0 113.992 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -87.55 -51.47 5.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 110.858 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -23.04 67.05 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.075 1.35 . . . . 0.0 114.599 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -55.41 -49.81 71.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.46 -32.51 74.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -43.51 55.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.752 1.221 . . . . 0.0 111.716 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.3 -38.73 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.643 0.777 . . . . 0.0 111.903 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.95 21.37 71.31 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.722 1.153 . . . . 0.0 115.864 172.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 135.23 20.73 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.074 1.437 . . . . 0.0 112.237 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.8 -30.01 18.1 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.94 2.427 . . . . 0.0 112.989 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.41 -30.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.409 -0.807 . . . . 0.0 112.197 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.46 -42.76 99.27 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.465 1.106 . . . . 0.0 111.473 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.23 77.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -64.63 -34.02 77.3 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.099 -1.001 . . . . 0.0 112.451 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.76 -47.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 O-C-N 121.651 -0.656 . . . . 0.0 112.542 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.01 -26.97 68.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.799 0.727 . . . . 0.0 112.894 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -44.46 84.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.144 171.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.19 -36.66 77.54 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.996 0.918 . . . . 0.0 112.463 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -67.55 -12.01 59.37 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.22 -41.46 81.24 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.201 1.819 . . . . 0.0 112.617 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.99 -37.57 74.51 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 121.663 -0.648 . . . . 0.0 111.177 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -71.68 1.05 7.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.115 1.766 . . . . 0.0 115.385 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.9 mm -115.31 -39.25 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 125.988 1.715 . . . . 0.0 109.038 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.47 -57.35 13.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.95 0.796 . . . . 0.0 111.744 170.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -64.11 -39.25 93.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.572 0.749 . . . . 0.0 111.722 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.7 tp -66.21 -29.88 70.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.386 1.474 . . . . 0.0 112.759 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -73.72 -51.85 15.18 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.1 0.863 . . . . 0.0 111.846 167.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.5 m -57.36 -43.09 83.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.632 0.773 . . . . 0.0 112.713 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.07 -9.23 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 C-N-CA 123.835 0.854 . . . . 0.0 113.064 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 125.268 1.427 . . . . 0.0 114.229 175.061 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 121.206 0.527 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.26 -27.63 69.15 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 124.952 1.301 . . . . 0.0 113.772 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -66.63 -42.45 86.74 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.043 1.292 . . . . 0.0 111.822 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.13 -35.55 81.14 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.964 1.256 . . . . 0.0 112.443 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.67 -51.91 55.73 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.022 0.828 . . . . 0.0 111.597 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.11 -50.07 65.2 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.46 1.104 . . . . 0.0 111.627 174.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.82 2.54 5.29 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.8 mt -114.15 -39.55 3.88 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.452 1.101 . . . . 0.0 112.738 164.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.81 -43.92 64.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.428 1.013 . . . . 0.0 111.738 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.74 -35.25 78.39 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.124 0.874 . . . . 0.0 112.417 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -44.77 95.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.765 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.71 80.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.237 0.615 . . . . 0.0 111.993 172.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.5 tpp -53.96 -46.15 71.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.051 1.34 . . . . 0.0 113.058 176.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -51.91 -42.97 63.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.624 0.647 . . . . 0.0 112.618 174.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.84 -42.0 41.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.79 -43.78 90.55 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.371 0.419 . . . . 0.0 112.103 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.97 -32.72 72.5 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.15 -54.04 12.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.83 0.824 . . . . 0.0 112.214 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.18 66.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -171.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.9 t -52.08 -48.88 64.48 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -171.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.96 -10.94 54.71 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -116.76 -28.48 6.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.059 1.344 . . . . 0.0 112.977 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -77.6 -40.58 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.657 1.183 . . . . 0.0 111.166 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.57 35.95 75.67 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 115.621 1.009 . . . . 0.0 115.621 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -121.61 142.47 35.85 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.627 1.213 . . . . 0.0 112.042 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.76 -27.54 14.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.835 2.357 . . . . 0.0 114.023 -173.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.275 2.8 p -69.52 -21.21 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.624 1.102 . . . . 0.0 112.932 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.8 -41.99 96.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.51 -1.369 . . . . 0.0 112.529 167.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.22 89.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.674 0.67 . . . . 0.0 111.9 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.39 -38.15 79.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.166 0.987 . . . . 0.0 112.91 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -63.35 -32.73 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.72 0.808 . . . . 0.0 112.72 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.55 -41.04 96.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.403 1.001 . . . . 0.0 111.81 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.36 -38.7 91.95 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.7 1.2 . . . . 0.0 112.552 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.32 -50.34 70.41 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.809 -0.557 . . . . 0.0 112.095 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.6 -24.54 64.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.86 -43.38 90.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.411 1.46 . . . . 0.0 112.406 171.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -62.19 -37.94 87.2 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.453 -0.779 . . . . 0.0 111.282 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -69.41 -6.89 33.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -103.21 -37.49 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.912 1.685 . . . . 0.0 109.282 171.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.16 -47.41 79.98 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.12 -0.988 . . . . 0.0 111.845 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -66.97 -27.22 67.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.908 1.283 . . . . 0.0 112.948 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -54.74 43.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.325 1.05 . . . . 0.0 112.088 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.65 -27.51 66.07 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.865 0.866 . . . . 0.0 112.562 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.9 m -63.27 -30.59 71.7 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.49 -0.756 . . . . 0.0 112.278 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -5.21 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.628 1.571 . . . . 0.0 114.46 172.024 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 1.515 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 1.6 t80 . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 120.867 0.365 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.6 -14.86 59.12 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -160.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -66.42 -31.26 71.9 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.606 1.093 . . . . 0.0 112.687 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -63.46 -40.32 96.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.206 1.003 . . . . 0.0 112.532 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.797 HD22 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -65.95 -47.09 75.81 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.829 1.251 . . . . 0.0 111.641 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -51.9 50.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.369 1.068 . . . . 0.0 112.924 168.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 4.35 3.12 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' B' ' 14' ' ' ALA . 73.8 mt -109.03 -42.5 4.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.32 1.448 . . . . 0.0 111.51 166.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.713 ' HG3' ' OH ' ' B' ' 18' ' ' TYR . 6.9 mm-40 -67.79 -46.73 71.13 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.801 0.841 . . . . 0.0 112.262 -176.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -71.98 -31.69 66.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.351 -0.843 . . . . 0.0 112.349 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.75 -43.52 97.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.566 0.747 . . . . 0.0 111.658 170.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.83 86.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.305 0.642 . . . . 0.0 111.705 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 mtp -55.33 -42.95 74.48 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -53.97 -38.41 64.98 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.671 HD11 ' CD1' ' B' ' 10' ' ' LEU . 67.3 mt -85.21 -40.11 17.04 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.738 1.215 . . . . 0.0 111.274 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -61.68 -40.23 94.24 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.687 0.795 . . . . 0.0 111.698 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -32.27 66.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.224 0.92 . . . . 0.0 112.732 176.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.26 -52.28 59.47 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.831 0.741 . . . . 0.0 110.2 173.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.79 82.92 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.571 1.149 . . . . 0.0 112.445 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -60.25 -47.92 83.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.43 -0.794 . . . . 0.0 112.224 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -40.38 93.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.592 0.757 . . . . 0.0 112.444 175.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -73.35 -32.16 64.37 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.242 1.417 . . . . 0.0 114.144 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -112.98 -34.21 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.172 0.989 . . . . 0.0 112.902 -167.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.36 2.16 78.37 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.72 1.448 . . . . 0.0 116.72 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 140.82 97.98 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.575 1.688 . . . . 0.0 112.267 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.99 -36.84 9.47 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.622 2.214 . . . . 0.0 113.33 -173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 -27.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 121.149 -0.97 . . . . 0.0 112.768 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.03 -37.29 86.89 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.328 -0.857 . . . . 0.0 112.039 170.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.18 65.83 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.37 -36.86 83.59 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.035 -1.041 . . . . 0.0 112.822 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.4 mt -57.81 -41.6 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.323 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.38 -40.38 96.27 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.46 1.027 . . . . 0.0 112.972 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.55 -40.7 97.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.215 1.006 . . . . 0.0 112.521 174.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.32 -52.07 25.43 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.088 0.955 . . . . 0.0 112.865 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -64.11 -26.43 68.54 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.469 -0.769 . . . . 0.0 112.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.42 -40.05 93.0 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.785 -1.197 . . . . 0.0 113.134 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -66.0 -39.87 90.65 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.589 1.086 . . . . 0.0 111.414 171.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -60.28 -36.83 78.74 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.8 mm -75.54 -40.06 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 127.292 2.237 . . . . 0.0 110.347 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.3 -44.56 97.02 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.461 -0.775 . . . . 0.0 110.345 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.547 ' CG ' HG23 ' B' ' 29' ' ' VAL . 39.8 m0 -64.28 -35.54 81.18 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.902 0.881 . . . . 0.0 112.672 169.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.05 -49.89 74.44 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.369 1.068 . . . . 0.0 111.794 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.41 -37.95 68.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.492 1.117 . . . . 0.0 112.622 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.9 m -58.41 -40.49 82.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.717 ' CD1' ' CB ' ' B' ' 27' ' ' ASP . 9.4 mm -59.51 -7.96 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.198 1.799 . . . . 0.0 114.717 171.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 126.598 1.959 . . . . 0.0 114.023 178.59 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 p90 . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 mt -41.23 -50.7 3.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.939 2.896 . . . . 0.0 113.306 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.82 -39.43 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.119 -0.988 . . . . 0.0 113.39 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -71.39 -27.45 63.34 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.38 0.991 . . . . 0.0 112.972 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.7 -51.07 68.65 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 120.137 1.335 . . . . 0.0 110.108 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -48.56 70.44 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.33 1.052 . . . . 0.0 112.057 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -75.96 9.19 2.56 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.671 ' CD1' HD11 ' A' ' 17' ' ' LEU . 81.0 mt -114.98 -41.18 3.38 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.165 0.986 . . . . 0.0 112.192 162.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.72 -49.63 24.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.44 1.018 . . . . 0.0 111.424 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -68.54 -25.87 65.14 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.264 -0.897 . . . . 0.0 113.133 173.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.85 -42.45 63.73 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.402 -0.811 . . . . 0.0 112.516 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.773 ' HA ' HD12 ' A' ' 10' ' ' LEU . . . -65.34 -39.69 92.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 112.063 171.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 30.7 tpp -51.33 -44.77 62.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.011 1.324 . . . . 0.0 113.77 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -54.35 -42.59 70.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.575 0.75 . . . . 0.0 112.224 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.636 HD11 ' CD1' ' A' ' 10' ' ' LEU . 61.4 mt -79.36 -40.7 29.54 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.217 1.407 . . . . 0.0 111.487 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.797 ' CD1' HD22 ' A' ' 7' ' ' LEU . 7.8 m-85 -56.57 -47.68 79.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.435 0.694 . . . . 0.0 110.797 173.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -73.78 -31.04 63.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.76 -50.63 62.1 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.777 0.799 . . . . 0.0 110.962 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 1.515 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -65.77 -37.7 87.05 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.191 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -55.29 -40.42 71.02 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.055 1.298 . . . . 0.0 112.924 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.13 -12.03 35.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.449 1.5 . . . . 0.0 114.32 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -125.73 -34.1 2.66 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.114 1.365 . . . . 0.0 113.825 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.417 HG23 ' CE2' ' A' ' 3' ' ' TYR . 99.1 t -79.1 -37.53 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.355 1.462 . . . . 0.0 111.015 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.56 -3.36 55.08 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 116.629 1.412 . . . . 0.0 116.629 171.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.717 ' CB ' ' CD1' ' A' ' 47' ' ' ILE . 1.7 m-20 -65.76 133.56 95.07 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 119.51 1.655 . . . . 0.0 112.412 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.78 -28.76 24.75 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.837 2.358 . . . . 0.0 113.332 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.621 HG11 HD13 ' A' ' 47' ' ' ILE . 9.4 p -64.69 -32.58 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.291 -0.881 . . . . 0.0 112.302 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.716 HD13 ' OH ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -66.06 -42.33 89.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.11 0.964 . . . . 0.0 111.036 174.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.28 87.07 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.814 170.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.09 -36.26 81.15 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.005 -1.06 . . . . 0.0 112.856 175.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.19 -39.98 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.75 -0.594 . . . . 0.0 112.026 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.251 0.7 OUTLIER -67.02 -24.91 66.06 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.823 1.192 . . . . 0.0 112.649 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.53 -42.81 74.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.588 1.155 . . . . 0.0 113.128 166.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.59 -46.4 79.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.162 0.985 . . . . 0.0 113.12 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.551 ' OE2' ' OE2' ' A' ' 11' ' ' GLU . 31.6 mm-40 -68.25 -13.36 62.2 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.997 -1.064 . . . . 0.0 113.172 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.62 -46.21 73.17 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.867 -1.145 . . . . 0.0 111.598 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -43.32 71.86 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 122.002 -0.436 . . . . 0.0 110.258 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -66.02 -11.95 51.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.91 -30.66 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.386 1.474 . . . . 0.0 110.351 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.82 -50.08 58.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.991 0.916 . . . . 0.0 110.873 169.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -59.04 -31.75 69.13 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.612 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.61 -53.03 63.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 112.076 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -60.45 -41.41 94.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.82 0.848 . . . . 0.0 112.048 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 m -59.56 -41.53 90.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.925 0.89 . . . . 0.0 112.678 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.32 -4.9 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.551 1.019 0 C-N-CA 125.944 1.698 . . . . 0.0 113.779 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 p90 . . . . . 0 CA--C 1.543 0.687 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.57 -17.11 30.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.63 1.572 . . . . 0.0 115.232 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -56.51 -38.89 72.42 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.606 -0.684 . . . . 0.0 112.594 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.55 -37.95 83.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 123.941 0.897 . . . . 0.0 110.914 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.438 HD12 ' CZ ' ' B' ' 18' ' ' TYR . 18.9 mt -61.81 -47.61 84.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.59 0.632 . . . . 0.0 111.855 173.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.15 -50.36 64.72 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.173 0.989 . . . . 0.0 112.052 173.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -72.34 7.55 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.028 1.731 . . . . 0.0 114.409 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.6 mt -118.93 -41.01 2.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.703 1.601 . . . . 0.0 112.338 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.13 -47.63 49.7 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.639 1.109 . . . . 0.0 111.847 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.82 -36.08 83.18 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.55 -0.719 . . . . 0.0 111.971 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -62.11 -41.24 98.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.64 1.176 . . . . 0.0 112.59 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.09 77.64 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.701 -0.624 . . . . 0.0 112.077 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mtp -56.08 -38.57 70.86 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.56 -34.99 27.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.985 1.714 . . . . 0.0 113.465 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.8 mt -97.12 -40.49 8.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.454 1.502 . . . . 0.0 111.72 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -55.29 -47.52 75.41 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.056 0.942 . . . . 0.0 110.767 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -66.57 -30.99 71.42 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -73.97 -50.47 19.78 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.963 0.905 . . . . 0.0 111.35 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.96 70.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.89 1.276 . . . . 0.0 113.417 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -50.63 -47.7 58.35 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -82.87 -25.43 32.56 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.494 1.118 . . . . 0.0 113.826 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t -97.95 -42.14 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.175 0.99 . . . . 0.0 112.059 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 13.05 77.85 Favored Glycine 0 CA--C 1.539 1.542 0 N-CA-C 116.748 1.459 . . . . 0.0 116.748 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.81 139.8 33.09 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.506 1.653 . . . . 0.0 112.482 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.84 -29.57 18.54 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.017 2.478 . . . . 0.0 113.623 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.55 -32.1 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.397 -0.814 . . . . 0.0 112.094 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.27 -44.15 95.92 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.219 -0.926 . . . . 0.0 111.519 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.97 95.64 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.597 -0.689 . . . . 0.0 112.518 172.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.44 -33.21 72.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.688 1.195 . . . . 0.0 113.107 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.28 -32.92 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.305 0.642 . . . . 0.0 112.711 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.12 -37.81 81.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.576 1.08 . . . . 0.0 112.193 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.74 -40.12 95.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.235 1.014 . . . . 0.0 112.478 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -66.22 -56.22 12.39 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.391 -0.818 . . . . 0.0 111.454 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.96 -26.76 68.73 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.25 -53.57 56.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.259 0.936 . . . . 0.0 112.4 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -67.0 -34.29 77.43 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.141 -0.974 . . . . 0.0 112.611 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -54.05 -41.21 67.86 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.654 1.116 . . . . 0.0 113.32 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -30.0 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 127.179 2.192 . . . . 0.0 110.974 -172.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.97 -47.07 81.86 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.244 -0.91 . . . . 0.0 110.4 165.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -64.1 -33.8 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.646 0.779 . . . . 0.0 112.417 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.21 -51.31 70.29 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.725 1.148 . . . . 0.0 112.722 176.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.92 -43.29 98.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.397 0.679 . . . . 0.0 111.811 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.3 m -57.73 -34.27 69.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.706 0.802 . . . . 0.0 112.365 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.95 -9.81 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.799 1.64 . . . . 0.0 114.579 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.1 t30 . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 125.953 1.701 . . . . 0.0 113.865 174.798 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 35.8 p90 . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.037 0.446 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.54 -27.36 67.59 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -64.38 -43.05 95.7 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.993 -1.067 . . . . 0.0 112.052 171.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.43 -35.43 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.936 0.789 . . . . 0.0 111.579 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.04 -51.56 69.1 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.469 1.031 . . . . 0.0 111.214 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.11 -51.7 63.37 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.714 0.688 . . . . 0.0 112.416 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 0.28 4.91 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -108.15 -39.19 5.56 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.585 1.154 . . . . 0.0 112.034 167.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.07 -37.89 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.52 1.055 . . . . 0.0 112.632 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -28.46 57.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.06 0.944 . . . . 0.0 112.997 172.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.63 -49.61 72.59 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.815 -0.553 . . . . 0.0 110.255 168.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.09 46.09 0.13 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.637 1.975 . . . . 0.0 113.21 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 33.2 tpp -149.65 -48.06 0.14 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 112.101 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -53.94 -44.71 70.9 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.876 0.762 . . . . 0.0 112.663 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 -35.85 18.04 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.305 1.042 . . . . 0.0 111.825 176.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.438 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.5 -46.42 86.74 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.109 0.964 . . . . 0.0 110.592 -175.121 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -68.73 -28.64 67.0 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 173.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -75.57 -56.16 4.97 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.209 1.004 . . . . 0.0 112.149 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -20.88 66.53 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -50.68 -46.47 58.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.808 1.243 . . . . 0.0 113.922 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.71 -35.31 80.64 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -76.08 -42.05 48.56 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.677 0.791 . . . . 0.0 112.76 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.0 -37.29 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 118.427 0.558 . . . . 0.0 111.904 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.69 -13.85 39.88 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.13 1.348 . . . . 0.0 116.259 167.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.92 127.18 92.47 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.345 1.573 . . . . 0.0 111.522 175.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.67 -31.84 20.15 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.602 2.201 . . . . 0.0 113.425 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.44 -28.01 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.876 0.871 . . . . 0.0 113.052 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.22 -40.18 93.03 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.258 1.023 . . . . 0.0 111.539 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.71 -35.46 78.83 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.93 -30.54 71.14 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.998 0.919 . . . . 0.0 113.28 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.35 -30.76 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.745 -0.597 . . . . 0.0 112.062 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.54 -35.12 78.41 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.07 -1.019 . . . . 0.0 112.113 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.95 -45.94 86.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.964 1.306 . . . . 0.0 111.972 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.46 -52.76 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.619 0.768 . . . . 0.0 111.976 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.29 -28.21 68.52 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.313 -0.867 . . . . 0.0 112.573 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.66 -45.97 84.49 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.044 -1.035 . . . . 0.0 111.846 171.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -45.67 93.33 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 171.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -56.55 -37.49 70.59 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 15.8 tt -88.44 -26.17 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.261 1.824 . . . . 0.0 111.955 -173.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.86 -45.38 82.32 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.316 -0.865 . . . . 0.0 110.532 162.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -63.66 -32.82 74.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.7 -55.61 30.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.231 1.012 . . . . 0.0 113.055 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.53 -29.08 70.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.271 1.028 . . . . 0.0 113.469 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -16.19 46.39 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.041 1.737 . . . . 0.0 114.664 177.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.7 mm -92.96 -5.43 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 126.867 2.067 . . . . 0.0 112.783 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 127.101 2.16 . . . . 0.0 114.789 -175.613 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.843 ' CD1' ' CB ' ' B' ' 21' ' ' ALA . 2.6 t80 . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 110.832 -0.062 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -27.18 67.41 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.511 0.724 . . . . 0.0 112.789 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -58.69 -47.9 82.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.109 0.868 . . . . 0.0 111.012 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.476 ' OE2' HD21 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -60.24 -19.28 53.88 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.311 1.444 . . . . 0.0 113.478 173.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' B' ' 18' ' ' TYR . 21.9 mt -91.59 -44.85 8.81 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.67 0.788 . . . . 0.0 112.257 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.58 -51.52 62.7 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.46 -1.4 . . . . 0.0 112.365 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -0.96 2.37 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 172.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 1.121 ' CD1' ' HB1' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -103.74 -50.13 3.49 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 127.163 2.185 . . . . 0.0 108.517 175.252 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.85 -37.53 26.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.157 0.89 . . . . 0.0 110.808 -166.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.14 -28.42 65.35 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.547 1.139 . . . . 0.0 112.822 169.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.18 -51.5 20.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.216 1.007 . . . . 0.0 110.711 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 1.08 ' HB1' ' CD1' ' B' ' 10' ' ' LEU . . . -68.74 52.03 0.08 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.079 2.951 . . . . 0.0 112.978 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.2 tpp -160.62 -53.1 0.05 Allowed 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 126.348 1.859 . . . . 0.0 108.324 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -56.82 -43.8 81.38 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.057 1.298 . . . . 0.0 112.173 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 -36.06 22.23 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.73 0.812 . . . . 0.0 111.086 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.431 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -58.9 -50.51 73.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.365 0.416 . . . . 0.0 110.436 177.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.82 63.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 175.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.31 -59.19 2.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.743 1.217 . . . . 0.0 111.267 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 1.495 ' HB2' ' CZ ' ' B' ' 3' ' ' TYR . . . -61.2 -37.46 83.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.044 0.538 . . . . 0.0 112.053 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -53.92 -40.67 66.93 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -59.62 -42.14 92.02 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.197 0.999 . . . . 0.0 112.637 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -74.88 -40.72 60.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.703 1.201 . . . . 0.0 112.35 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.48 -49.64 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.25 1.42 . . . . 0.0 111.863 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.52 34.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.594 1.092 . . . . 0.0 114.568 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.8 136.49 20.0 Favored Pre-proline 0 N--CA 1.478 0.937 0 CA-C-N 118.77 1.285 . . . . 0.0 112.22 178.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.86 -40.95 2.36 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.72 2.28 . . . . 0.0 112.001 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -65.32 -31.67 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.365 0.666 . . . . 0.0 112.2 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.74 ' CD1' HG12 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -70.82 -39.99 72.71 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.762 0.825 . . . . 0.0 111.415 176.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.35 83.84 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.418 -0.801 . . . . 0.0 111.958 168.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -66.53 -34.07 77.09 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.919 -1.113 . . . . 0.0 113.125 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' B' ' 40' ' ' HIS . 14.7 mt -59.36 -47.41 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.056 -1.028 . . . . 0.0 111.628 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -34.18 72.82 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 118.898 0.772 . . . . 0.0 111.253 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.99 93.85 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.409 -1.432 . . . . 0.0 112.713 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.467 ' HB2' ' HE2' ' B' ' 40' ' ' HIS . 0.9 OUTLIER -68.59 -33.45 74.07 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.139 -0.975 . . . . 0.0 112.903 171.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -67.77 6.26 0.7 Allowed 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.99 -49.92 4.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 128.272 2.629 . . . . 0.0 108.546 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -57.15 -35.07 69.07 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.776 -1.202 . . . . 0.0 111.81 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -60.77 -4.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.017 2.527 . . . . 0.0 117.712 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.54 -26.62 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 121.292 1.86 . . . . 0.0 111.507 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.68 -50.14 33.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.495 1.118 . . . . 0.0 111.119 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.81 -26.86 62.57 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.693 0.797 . . . . 0.0 112.751 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.46 -55.93 26.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.269 1.427 . . . . 0.0 112.687 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -39.31 93.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.595 -0.69 . . . . 0.0 111.442 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -59.44 -24.93 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.921 0.888 . . . . 0.0 112.759 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -9.34 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.466 1.506 . . . . 0.0 114.043 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 CA--C 1.551 1.002 0 C-N-CA 125.96 1.704 . . . . 0.0 113.483 173.333 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 1.495 ' CZ ' ' HB2' ' A' ' 21' ' ' ALA . 7.3 t80 . . . . . 0 N--CA 1.466 0.344 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -30.24 71.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.284 0.634 . . . . 0.0 112.508 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -60.93 -50.08 74.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.755 1.222 . . . . 0.0 110.905 174.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -14.6 5.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.851 1.26 . . . . 0.0 114.042 172.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 18' ' ' TYR . 23.2 mt -96.88 -46.47 6.22 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.82 -50.22 56.96 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.536 -1.353 . . . . 0.0 113.071 173.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 17.23 0.45 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.699 1.6 . . . . 0.0 114.239 173.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 1.08 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -122.34 -44.11 2.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.665 2.386 . . . . 0.0 108.967 173.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -78.42 -50.37 11.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.708 1.203 . . . . 0.0 110.476 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.88 -24.05 64.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.124 0.97 . . . . 0.0 112.541 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -46.47 57.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.601 -1.312 . . . . 0.0 111.787 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 1.121 ' HB1' ' CD1' ' A' ' 10' ' ' LEU . . . -68.4 -33.5 74.34 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 171.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -51.08 -41.01 59.68 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.781 0.832 . . . . 0.0 112.683 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -56.61 -48.38 77.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.924 0.89 . . . . 0.0 112.658 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.476 HD21 ' OE2' ' A' ' 6' ' ' GLU . 10.1 mt -67.63 -38.38 83.81 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.023 0.929 . . . . 0.0 110.873 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.473 ' CE1' HD12 ' A' ' 7' ' ' LEU . 6.2 m-85 -62.07 -31.85 72.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.295 1.438 . . . . 0.0 113.824 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -24.85 22.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.311 0.644 . . . . 0.0 112.526 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.16 -60.51 2.34 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.355 1.062 . . . . 0.0 111.441 -176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.843 ' CB ' ' CD1' ' A' ' 3' ' ' TYR . . . -84.77 63.17 7.85 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.21 1.404 . . . . 0.0 111.042 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -124.8 -50.7 1.71 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.741 1.216 . . . . 0.0 111.033 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.85 -32.08 72.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.835 1.254 . . . . 0.0 112.252 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -42.73 69.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.416 1.486 . . . . 0.0 113.203 173.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.67 HG22 ' CE2' ' A' ' 3' ' ' TYR . 41.7 t -75.11 -47.27 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.083 0.953 . . . . 0.0 111.773 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.15 48.67 Favored Glycine 0 CA--C 1.539 1.567 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.3 137.1 19.82 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 118.355 1.078 . . . . 0.0 111.549 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.67 -42.08 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.951 2.434 . . . . 0.0 112.137 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.17 -23.82 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.479 HD13 ' OH ' ' A' ' 3' ' ' TYR . 1.7 tt -59.63 -41.9 91.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.768 -1.208 . . . . 0.0 112.129 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.68 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -78.95 -34.66 44.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.324 1.45 . . . . 0.0 112.821 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.47 -45.73 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.421 1.088 . . . . 0.0 111.216 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -31.57 71.4 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.813 0.445 . . . . 0.0 111.841 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -40.64 70.13 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.638 1.575 . . . . 0.0 112.903 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.57 -34.73 78.93 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.658 -1.276 . . . . 0.0 112.179 170.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -67.21 -7.87 27.19 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 168.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -49.5 17.54 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.097 -1.627 . . . . 0.0 112.255 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -36.04 68.75 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 174.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.566 ' CD2' HG12 ' A' ' 33' ' ' ILE . 17.7 m170 -64.19 -4.3 3.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 128.136 2.574 . . . . 0.0 117.347 175.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.75 -31.19 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 120.043 1.292 . . . . 0.0 111.384 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.23 -50.6 63.22 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.405 -0.809 . . . . 0.0 111.412 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -67.35 -27.42 67.11 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -55.4 34.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.585 1.154 . . . . 0.0 112.915 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.81 -39.94 93.51 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.376 -0.827 . . . . 0.0 111.416 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -59.3 -21.61 59.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.248 1.019 . . . . 0.0 113.017 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.74 HG12 ' CD1' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -69.78 -12.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.262 1.425 . . . . 0.0 114.344 175.176 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 37.7 t30 . . . . . 0 N--CA 1.471 0.611 0 C-N-CA 125.489 1.516 . . . . 0.0 112.606 175.7 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -54.97 -26.91 39.84 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -159.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -58.88 -38.8 79.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.054 1.297 . . . . 0.0 112.608 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.31 -25.79 64.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.163 0.985 . . . . 0.0 112.802 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' B' ' 17' ' ' LEU . 51.2 mt -76.78 -48.29 19.07 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.948 0.899 . . . . 0.0 110.821 172.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -46.88 76.66 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.831 1.253 . . . . 0.0 112.264 174.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.18 7.68 3.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.408 1.483 . . . . 0.0 114.456 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.2 mt -114.65 -43.62 3.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 161.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.3 -37.27 60.91 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.339 1.427 . . . . 0.0 113.082 -171.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -78.01 -33.22 51.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.566 -1.333 . . . . 0.0 112.41 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.45 -42.01 90.98 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.218 1.007 . . . . 0.0 111.522 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.673 ' CB ' HD23 ' B' ' 10' ' ' LEU . . . -60.18 -50.9 71.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.617 1.167 . . . . 0.0 112.11 169.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttm -54.52 -42.37 70.77 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -54.03 -38.47 65.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.93 -40.64 14.63 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.232 1.413 . . . . 0.0 111.407 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.25 -39.86 80.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.482 1.113 . . . . 0.0 111.523 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -25.85 51.99 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -71.35 -54.11 11.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.172 0.986 . . . . 0.0 110.562 173.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.23 40.48 0.35 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.517 1.927 . . . . 0.0 113.551 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -110.7 -54.12 2.62 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.251 1.021 . . . . 0.0 109.833 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.56 -37.59 84.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.955 . . . . 0.0 112.884 175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.61 -18.41 61.05 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -113.56 -39.08 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 118.969 0.804 . . . . 0.0 112.612 -168.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.37 -8.17 20.09 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 167.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.99 129.74 94.09 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.676 1.738 . . . . 0.0 112.252 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.72 -26.7 19.08 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.767 2.311 . . . . 0.0 113.412 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.5 HG21 ' CE3' ' B' ' 43' ' ' TRP . 9.4 p -66.93 -30.08 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.05 -1.031 . . . . 0.0 112.482 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.29 -40.75 95.31 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.39 171.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.3 79.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.226 -0.921 . . . . 0.0 112.919 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -68.81 -34.05 74.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.168 -0.957 . . . . 0.0 113.503 172.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' B' ' 40' ' ' HIS . 47.4 mt -57.39 -41.72 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.656 165.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.74 -40.98 85.4 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.501 1.501 . . . . 0.0 112.949 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.59 -37.69 80.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.986 1.314 . . . . 0.0 113.036 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.34 -50.04 56.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.21 1.004 . . . . 0.0 112.258 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -66.81 -29.65 69.65 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.204 -0.935 . . . . 0.0 111.421 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.82 -48.3 82.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.006 1.275 . . . . 0.0 112.366 169.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.73 -42.81 75.87 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.631 0.772 . . . . 0.0 112.057 171.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.533 ' CE1' HG22 ' B' ' 33' ' ' ILE . 37.4 m170 -60.03 -34.57 73.56 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 116.869 -1.538 . . . . 0.0 114.485 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.9 mm -74.58 -39.79 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.561 1.944 . . . . 0.0 110.661 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.08 -43.66 98.55 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.39 -0.818 . . . . 0.0 110.452 173.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.498 ' HE3' HD13 ' B' ' 33' ' ' ILE . 43.4 m0 -66.85 -33.02 74.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.054 0.941 . . . . 0.0 112.615 170.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.67 -52.12 67.03 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.495 1.118 . . . . 0.0 112.785 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.2 -41.81 84.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.679 0.792 . . . . 0.0 111.556 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.2 m -62.68 -28.42 69.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.591 1.157 . . . . 0.0 113.453 173.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.41 -9.78 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 CA--C 1.547 0.86 0 C-N-CA 125.75 1.62 . . . . 0.0 114.057 174.098 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 p90 . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -57.67 -34.77 69.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.358 1.463 . . . . 0.0 114.322 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -61.4 -43.62 98.55 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 111.902 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.47 -30.64 71.02 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.077 0.951 . . . . 0.0 112.658 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.91 -47.31 75.19 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.729 1.15 . . . . 0.0 111.757 168.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.09 -49.48 71.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.569 0.748 . . . . 0.0 112.034 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.29 4.45 0.71 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.673 HD23 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.49 -46.12 2.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.545 1.938 . . . . 0.0 110.844 172.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.91 -39.2 72.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.767 1.167 . . . . 0.0 111.156 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -29.37 65.24 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.222 -0.923 . . . . 0.0 113.461 169.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.31 -42.56 79.25 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.124 -0.985 . . . . 0.0 111.964 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.11 96.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.469 0.708 . . . . 0.0 111.956 171.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 37.0 tpp -55.54 -39.04 70.07 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.76 -47.33 77.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.996 0.918 . . . . 0.0 112.855 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.46 ' HB3' HD23 ' A' ' 7' ' ' LEU . 59.0 mt -69.72 -42.34 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.147 0.979 . . . . 0.0 111.259 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.03 -38.77 83.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.047 0.939 . . . . 0.0 112.191 175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -78.22 -30.14 48.69 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.553 1.069 . . . . 0.0 112.96 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -45.64 82.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.375 0.989 . . . . 0.0 109.775 174.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.48 -33.65 76.03 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.395 1.078 . . . . 0.0 113.649 171.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t -66.63 -48.34 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.054 -1.029 . . . . 0.0 112.091 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.66 -26.03 68.21 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.775 1.23 . . . . 0.0 113.462 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -31.52 12.16 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.32 -50.97 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.406 1.003 . . . . 0.0 112.743 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.18 93.77 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.228 0.851 . . . . 0.0 115.228 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -52.7 138.45 42.3 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 118.223 1.012 . . . . 0.0 111.807 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.07 -19.86 38.84 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.307 2.005 . . . . 0.0 117.223 -168.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -90.72 -26.31 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 121.187 1.812 . . . . 0.0 111.694 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.85 -43.43 98.86 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.801 -1.187 . . . . 0.0 110.455 168.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -9.58 17.82 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.362 1.865 . . . . 0.0 115.558 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -20.17 10.63 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.686 1.13 . . . . 0.0 113.802 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.533 HG22 ' CE1' ' A' ' 40' ' ' HIS . 71.9 mt -63.15 -40.19 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.169 -0.957 . . . . 0.0 110.699 166.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.52 -21.82 65.83 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -80.87 -41.49 23.06 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.078 1.351 . . . . 0.0 112.214 168.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.25 -48.2 82.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.465 1.106 . . . . 0.0 112.534 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -66.83 -19.03 65.66 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.507 -0.745 . . . . 0.0 112.136 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -68.19 -44.49 75.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.951 -1.093 . . . . 0.0 111.933 171.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.86 -45.7 89.51 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.091 -0.381 . . . . 0.0 110.397 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.557 ' CD2' HG12 ' A' ' 33' ' ' ILE . 27.0 m170 -58.36 -42.8 87.74 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt -82.11 -26.88 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.372 1.869 . . . . 0.0 111.999 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.17 -49.4 75.98 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.555 -0.715 . . . . 0.0 110.048 163.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.5 ' CE3' HG21 ' A' ' 29' ' ' VAL . 30.3 m0 -64.54 -32.43 74.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.82 0.848 . . . . 0.0 113.254 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.95 -50.28 73.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.528 1.131 . . . . 0.0 112.712 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -58.13 -40.35 81.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.189 0.595 . . . . 0.0 112.006 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.87 -24.2 64.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.614 1.165 . . . . 0.0 113.544 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.82 -11.14 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 120.236 1.38 . . . . 0.0 112.852 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.3 t30 . . . . . 0 CA--C 1.551 0.982 0 C-N-CA 125.233 1.413 . . . . 0.0 113.917 170.201 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.33 -39.51 83.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.939 1.296 . . . . 0.0 113.067 -176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -54.36 -40.96 68.61 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -32.57 74.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.75 0.705 . . . . 0.0 112.835 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.4 mt -67.98 -48.74 64.95 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.519 0.728 . . . . 0.0 110.828 172.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -49.86 48.21 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.564 1.146 . . . . 0.0 112.599 170.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -58.38 -15.19 9.63 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.325 1.85 . . . . 0.0 115.709 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.13 -41.38 5.37 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.408 1.883 . . . . 0.0 110.943 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.92 -35.57 64.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.118 0.967 . . . . 0.0 112.242 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.12 -28.87 62.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.391 0.996 . . . . 0.0 112.994 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -52.25 60.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.825 0.85 . . . . 0.0 110.404 168.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.34 40.22 0.05 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 127.119 2.168 . . . . 0.0 113.676 168.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.7 tpp -139.32 -52.08 0.54 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.497 1.519 . . . . 0.0 111.899 173.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.94 -33.7 67.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.441 0.696 . . . . 0.0 112.724 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -80.57 -36.52 32.83 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 127.759 2.423 . . . . 0.0 113.373 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.68 -38.87 64.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.11 -168.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -35.01 77.45 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 162.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.55 -53.53 27.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.621 1.101 . . . . 0.0 112.371 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.71 84.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.998 0.919 . . . . 0.0 112.738 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t -58.48 -46.26 86.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.259 0.624 . . . . 0.0 112.605 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.97 -27.83 69.67 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -79.82 -50.21 10.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.121 0.968 . . . . 0.0 111.487 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.18 -37.17 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.301 1.04 . . . . 0.0 112.427 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.73 29.79 64.88 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 123.996 0.808 . . . . 0.0 115.111 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.11 133.63 20.45 Favored Pre-proline 0 N--CA 1.474 0.749 0 CA-C-N 118.557 1.179 . . . . 0.0 111.419 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -67.56 -37.18 17.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.357 2.038 . . . . 0.0 112.876 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.38 -28.1 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.133 1.333 . . . . 0.0 113.133 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -42.39 92.22 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.07 -1.019 . . . . 0.0 111.095 170.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -12.79 55.86 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -29.24 14.86 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.999 1.272 . . . . 0.0 113.201 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.566 HG22 ' CE1' ' B' ' 40' ' ' HIS . 60.8 mt -58.4 -46.84 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 111.706 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.2 -31.56 72.81 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.02 79.41 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.665 1.186 . . . . 0.0 113.046 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -76.09 -36.53 58.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.222 1.009 . . . . 0.0 112.848 175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.68 -23.99 67.4 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.006 -1.059 . . . . 0.0 112.473 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.91 -48.24 81.34 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.641 -1.287 . . . . 0.0 112.095 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -45.55 86.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.094 0.558 . . . . 0.0 110.467 174.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CD2' HG12 ' B' ' 33' ' ' ILE . 35.6 m170 -57.81 -35.5 70.94 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 124.473 1.109 . . . . 0.0 113.835 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 mm -77.79 -42.94 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 128.384 2.674 . . . . 0.0 110.619 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.83 -45.64 92.93 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.761 -0.587 . . . . 0.0 110.564 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.537 ' CD2' HG23 ' B' ' 29' ' ' VAL . 40.7 m0 -62.11 -35.57 79.11 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.613 0.765 . . . . 0.0 112.308 170.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.43 -56.59 20.21 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.305 0.957 . . . . 0.0 112.056 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.05 -41.96 99.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.46 1.104 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -58.2 -36.65 73.42 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.183 0.993 . . . . 0.0 112.808 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -89.99 -7.51 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 125.419 1.487 . . . . 0.0 113.936 -176.758 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -57.82 -34.8 70.05 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.176 1.79 . . . . 0.0 112.584 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.41 -44.3 95.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.876 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.97 -32.69 73.16 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.926 1.239 . . . . 0.0 112.717 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.51 -51.77 57.56 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.411 0.685 . . . . 0.0 110.512 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.06 -50.2 59.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.537 1.535 . . . . 0.0 112.803 171.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -68.28 -2.38 8.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.744 2.018 . . . . 0.0 114.93 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -105.8 -45.32 4.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.637 1.175 . . . . 0.0 111.65 163.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.29 -43.28 74.13 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.423 1.01 . . . . 0.0 112.821 -173.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.47 -34.2 67.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.439 -1.413 . . . . 0.0 112.767 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -60.29 -47.66 85.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 110.86 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -47.53 78.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.98 1.312 . . . . 0.0 112.405 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -53.27 -47.31 69.25 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -58.16 -32.44 68.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.893 1.277 . . . . 0.0 113.278 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.67 -39.42 14.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.951 1.7 . . . . 0.0 111.597 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.96 -40.5 89.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.124 0.57 . . . . 0.0 111.176 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -70.49 -32.46 69.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.802 1.241 . . . . 0.0 114.149 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.11 -51.94 27.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.952 0.882 . . . . 0.0 110.434 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 59.68 4.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.33 1.452 . . . . 0.0 111.786 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -125.24 -50.15 1.67 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.214 1.006 . . . . 0.0 111.83 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.24 -39.45 78.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.379 1.071 . . . . 0.0 111.799 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -32.81 70.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.505 1.122 . . . . 0.0 112.748 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.5 -41.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.499 1.12 . . . . 0.0 111.645 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.8 83.29 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.386 1.469 . . . . 0.0 116.612 167.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -83.23 136.09 43.76 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 119.411 1.605 . . . . 0.0 112.474 -177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.39 -35.58 4.78 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.831 2.354 . . . . 0.0 113.716 -170.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.537 HG23 ' CD2' ' A' ' 43' ' ' TRP . 9.0 p -65.45 -28.7 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.041 0.837 . . . . 0.0 112.274 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.85 -42.47 84.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.975 1.31 . . . . 0.0 112.003 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.72 -23.62 67.31 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 174.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -94.14 -25.7 17.01 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.569 1.148 . . . . 0.0 113.124 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.613 HG12 ' CD2' ' A' ' 40' ' ' HIS . 43.2 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.989 . . . . 0.0 110.157 168.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 77.6 mt -53.06 -46.89 68.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.314 1.046 . . . . 0.0 112.832 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -37.53 84.17 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.823 1.649 . . . . 0.0 112.565 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -71.2 -41.41 70.3 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.573 1.149 . . . . 0.0 111.99 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.28 -12.74 58.2 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.44 -42.74 64.69 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.953 -1.717 . . . . 0.0 112.784 171.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.41 -39.3 72.82 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.486 -0.759 . . . . 0.0 110.714 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.566 ' CE1' HG22 ' A' ' 33' ' ' ILE . 25.6 m170 -67.42 -3.2 7.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.359 1.863 . . . . 0.0 115.538 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.0 mm -114.85 -40.12 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.821 1.649 . . . . 0.0 110.041 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.88 -52.09 65.54 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.249 -0.907 . . . . 0.0 111.836 173.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -63.23 -31.2 72.29 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.853 -0.53 . . . . 0.0 112.068 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -58.15 9.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.977 1.311 . . . . 0.0 111.788 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.14 -41.32 96.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.742 0.817 . . . . 0.0 111.467 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 68.3 m -58.03 -49.83 75.51 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.662 0.785 . . . . 0.0 112.285 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.9 mm -72.33 -8.42 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.0 t30 . . . . . 0 CA--C 1.549 0.936 0 C-N-CA 126.689 1.995 . . . . 0.0 113.437 173.897 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.451 ' CE1' HD21 ' B' ' 17' ' ' LEU . 7.1 p90 . . . . . 0 CA--C 1.556 1.175 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -23.03 64.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 118.005 2.595 . . . . 0.0 118.005 -149.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -55.15 -36.77 66.16 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.03 -29.23 69.55 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.466 1.03 . . . . 0.0 113.231 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.37 -47.03 29.43 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.468 1.107 . . . . 0.0 111.829 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -49.34 37.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.756 0.822 . . . . 0.0 112.409 166.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -69.79 4.98 1.66 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -115.72 -42.19 3.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.168 1.387 . . . . 0.0 111.446 166.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.51 ' OE2' ' OH ' ' B' ' 18' ' ' TYR . 6.1 mm-40 -71.99 -42.53 66.37 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.42 -0.8 . . . . 0.0 112.365 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -73.04 -30.19 63.55 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.97 -1.081 . . . . 0.0 111.959 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -42.83 99.58 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.122 -0.986 . . . . 0.0 111.879 172.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.74 85.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.202 0.601 . . . . 0.0 111.968 171.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.8 tpp -53.21 -44.31 67.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.447 1.099 . . . . 0.0 113.429 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -54.13 -35.82 62.61 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.182 1.393 . . . . 0.0 113.714 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.1 mt -87.23 -38.71 16.09 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.158 1.383 . . . . 0.0 111.069 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.97 -22.94 67.15 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -88.05 -10.09 51.34 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 170.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -103.22 -57.61 2.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.509 1.124 . . . . 0.0 110.52 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.44 59.12 1.41 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.492 1.917 . . . . 0.0 111.492 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -133.97 -49.99 0.82 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.209 1.403 . . . . 0.0 111.573 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.79 -31.57 64.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.153 0.581 . . . . 0.0 111.863 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -79.95 -28.29 39.65 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.859 1.264 . . . . 0.0 113.038 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -85.23 -48.24 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.166 0.986 . . . . 0.0 111.869 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -8.75 70.46 Favored Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.53 140.08 92.09 Favored Pre-proline 0 CA--C 1.551 1.012 0 CA-C-N 119.649 1.724 . . . . 0.0 113.548 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.17 -34.16 6.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.234 2.623 . . . . 0.0 113.589 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p -63.46 -25.3 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.226 -0.921 . . . . 0.0 112.708 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -34.14 72.96 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.353 1.061 . . . . 0.0 112.043 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -21.06 61.53 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 171.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 11.7 mmpt? -83.31 -33.99 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.812 1.245 . . . . 0.0 112.452 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.497 HD12 ' CD2' ' B' ' 40' ' ' HIS . 24.2 mm -51.14 -55.16 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.704 0.802 . . . . 0.0 111.131 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.22 -27.13 67.74 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -76.69 -23.9 53.16 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.872 -1.142 . . . . 0.0 113.9 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -77.07 -43.8 33.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.18 0.992 . . . . 0.0 111.432 167.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.95 -20.17 64.97 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.972 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -56.19 -51.96 66.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.803 -1.186 . . . . 0.0 111.958 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -59.92 -38.46 82.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.745 0.818 . . . . 0.0 111.153 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.98 ' CE1' HG22 ' B' ' 33' ' ' ILE . 29.9 m170 -67.98 -8.96 41.66 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -110.1 -37.23 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 109.729 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.53 -50.69 72.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.755 0.822 . . . . 0.0 111.059 172.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 1.028 ' HE3' HD13 ' B' ' 33' ' ' ILE . 31.1 m0 -65.61 -32.84 74.63 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.853 0.861 . . . . 0.0 112.442 172.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.92 -56.37 23.18 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.115 0.966 . . . . 0.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.23 -42.18 90.44 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.195 0.998 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 m -59.09 -23.83 62.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.329 1.052 . . . . 0.0 113.186 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.579 HD12 HD11 ' B' ' 30' ' ' LEU . 85.2 mt -103.33 -17.31 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 120.136 1.335 . . . . 0.0 112.464 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.2 t30 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 126.218 1.807 . . . . 0.0 113.195 172.529 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 121.421 0.629 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.92 -30.79 36.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.052 1.741 . . . . 0.0 114.867 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -37.96 71.97 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.49 -1.381 . . . . 0.0 112.81 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.7 -36.99 86.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.79 1.177 . . . . 0.0 111.774 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.84 -53.42 58.14 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.835 0.743 . . . . 0.0 111.636 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -51.13 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.083 0.953 . . . . 0.0 112.903 168.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.5 7.97 2.06 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.542 1.537 . . . . 0.0 114.958 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -115.54 -40.05 3.46 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.683 1.593 . . . . 0.0 111.05 165.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.19 -44.85 64.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.933 0.893 . . . . 0.0 111.515 -177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -74.98 -29.46 60.91 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.019 . . . . 0.0 113.136 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.7 -41.29 88.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.163 -0.961 . . . . 0.0 112.309 170.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.47 89.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.169 0.588 . . . . 0.0 111.735 170.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.1 ttm -54.24 -39.99 67.3 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.32 -46.49 89.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.392 0.677 . . . . 0.0 111.81 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 3' ' ' TYR . 57.4 mt -67.43 -38.65 84.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.945 1.298 . . . . 0.0 111.267 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.51 ' OH ' ' OE2' ' A' ' 11' ' ' GLU . 3.7 m-85 -64.15 -10.66 24.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.312 1.445 . . . . 0.0 114.406 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.77 -10.28 11.11 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 170.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 0.405 ' HB3' ' HH ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -78.05 -50.47 12.02 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.138 0.975 . . . . 0.0 112.823 -175.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.31 -28.25 10.5 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.158 0.983 . . . . 0.0 113.281 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -54.51 -44.63 72.9 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.025 0.93 . . . . 0.0 112.178 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.09 -31.39 71.83 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.679 1.192 . . . . 0.0 113.567 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -81.63 -39.8 23.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.241 1.016 . . . . 0.0 112.932 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.66 -35.71 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.228 1.011 . . . . 0.0 111.775 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.91 87.27 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.322 1.439 . . . . 0.0 115.427 174.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.85 126.1 92.19 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 118.873 1.336 . . . . 0.0 112.018 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.46 -34.56 2.6 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.213 1.942 . . . . 0.0 114.983 -170.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.944 HG23 ' CE2' ' A' ' 43' ' ' TRP . 11.2 p -72.36 -31.05 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 120.255 1.389 . . . . 0.0 110.986 174.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -65.78 -39.22 90.78 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.448 -0.782 . . . . 0.0 111.238 174.179 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.41 89.19 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 168.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.598 ' HE2' ' CH2' ' A' ' 43' ' ' TRP . 11.9 pttt -67.23 -23.88 65.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 1.028 HD13 ' HE3' ' A' ' 43' ' ' TRP . 15.1 mt -61.6 -41.44 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.576 1.08 . . . . 0.0 112.537 178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -22.07 66.25 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.11 -31.44 72.58 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.206 1.803 . . . . 0.0 114.002 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -74.66 -38.27 62.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.352 0.661 . . . . 0.0 110.919 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.41 -23.32 67.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.854 0.862 . . . . 0.0 112.523 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.06 -45.71 92.35 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.739 -1.226 . . . . 0.0 112.091 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.77 -39.28 93.89 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.684 -0.635 . . . . 0.0 110.632 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.497 ' CD2' HD12 ' A' ' 33' ' ' ILE . 26.6 m170 -61.41 -24.67 66.67 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 mm -84.67 -42.3 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 127.251 2.22 . . . . 0.0 110.083 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.64 -45.46 93.93 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.338 -0.851 . . . . 0.0 111.202 170.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -67.54 -28.1 67.52 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.59 1.156 . . . . 0.0 113.117 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -50.32 74.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.256 0.934 . . . . 0.0 112.19 172.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.18 -44.2 97.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 111.005 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.8 m -58.08 -32.99 68.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.429 1.092 . . . . 0.0 112.753 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -9.43 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.421 1.488 . . . . 0.0 114.742 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 CA--C 1.547 0.857 0 C-N-CA 126.047 1.739 . . . . 0.0 113.599 -178.571 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 14.5 p90 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.34 -19.24 0.77 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -55.95 -40.05 72.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.66 1.573 . . . . 0.0 111.926 168.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.88 -33.68 76.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.571 1.078 . . . . 0.0 112.619 176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' B' ' 18' ' ' TYR . 89.1 mt -64.49 -48.41 75.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.637 0.653 . . . . 0.0 111.345 170.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.91 0.884 . . . . 0.0 112.311 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -71.55 2.54 4.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -111.33 -42.69 3.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.016 1.326 . . . . 0.0 112.334 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.68 -38.95 53.59 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.13 0.877 . . . . 0.0 112.384 -172.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.96 -27.98 61.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.475 -0.766 . . . . 0.0 112.471 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -51.43 69.94 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.633 -0.667 . . . . 0.0 111.369 164.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.44 42.72 0.1 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.581 1.952 . . . . 0.0 113.872 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.28 -43.02 0.14 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.738 1.615 . . . . 0.0 112.434 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -59.82 -41.2 90.79 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.524 0.73 . . . . 0.0 112.631 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 -32.38 18.02 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.491 1.116 . . . . 0.0 111.58 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -41.27 90.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.091 0.556 . . . . 0.0 111.145 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -64.29 -36.19 83.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.12 -46.17 68.33 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.101 1.36 . . . . 0.0 110.832 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.1 84.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.626 1.171 . . . . 0.0 111.798 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t -57.38 -45.92 83.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.617 0.767 . . . . 0.0 112.867 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.61 -33.79 70.42 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -89.34 -39.97 13.09 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.43 -37.81 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.16 0.984 . . . . 0.0 111.789 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.44 5.21 66.89 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.751 1.46 . . . . 0.0 116.751 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.55 144.1 97.49 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.405 1.603 . . . . 0.0 112.624 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.17 -33.08 19.64 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.718 2.278 . . . . 0.0 113.061 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.61 -29.24 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.475 -0.765 . . . . 0.0 112.43 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.628 HD13 HG12 ' B' ' 47' ' ' ILE . 9.6 mp -68.21 -43.72 77.4 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.921 -1.112 . . . . 0.0 111.202 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.32 86.84 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.419 0.554 . . . . 0.0 111.924 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -57.01 -44.6 82.95 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 168.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.38 -36.12 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.207 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.09 -41.78 88.91 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.763 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -44.48 90.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.425 1.09 . . . . 0.0 111.942 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.07 -48.79 80.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.699 0.799 . . . . 0.0 112.107 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -68.2 -33.77 75.05 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.898 -1.126 . . . . 0.0 112.678 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -60.99 -43.42 98.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.391 1.451 . . . . 0.0 111.348 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.68 -38.54 85.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -58.05 -32.57 68.13 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 117.199 -1.381 . . . . 0.0 113.944 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.9 mm -75.29 -38.54 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 126.19 1.796 . . . . 0.0 110.772 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -43.72 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.097 -1.002 . . . . 0.0 110.478 171.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CG ' HG23 ' B' ' 29' ' ' VAL . 39.5 m0 -64.67 -33.52 76.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.402 0.681 . . . . 0.0 112.689 170.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.1 -50.11 74.99 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.519 1.128 . . . . 0.0 111.935 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.94 -46.4 88.09 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.533 1.133 . . . . 0.0 110.919 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -31.75 68.62 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -6.4 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 CA--C 1.548 0.896 0 C-N-CA 125.449 1.5 . . . . 0.0 114.193 166.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -64.98 -18.01 64.9 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -66.17 -36.94 84.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.47 1.032 . . . . 0.0 112.162 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.73 -46.69 86.81 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.784 0.834 . . . . 0.0 111.666 167.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.91 -44.93 96.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.326 0.512 . . . . 0.0 111.731 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.49 -54.41 46.07 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.691 1.196 . . . . 0.0 112.489 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -74.0 -1.69 20.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 mt -96.96 -43.24 7.54 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.25 1.42 . . . . 0.0 111.905 164.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.8 -36.08 72.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.853 1.206 . . . . 0.0 111.856 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.85 -27.18 65.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.3 -0.875 . . . . 0.0 113.209 169.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -75.73 -46.34 31.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.72 0.808 . . . . 0.0 111.627 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.4 51.42 0.25 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.201 2.2 . . . . 0.0 112.206 169.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.73 -50.5 0.11 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.384 1.874 . . . . 0.0 112.072 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -48.69 -45.18 38.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.242 1.017 . . . . 0.0 112.588 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.15 -48.11 63.22 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.262 1.025 . . . . 0.0 111.523 -175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.415 ' CE1' HD21 ' A' ' 7' ' ' LEU . 25.8 m-85 -58.27 -33.2 69.14 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.215 1.006 . . . . 0.0 113.239 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -6.34 47.58 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.45 -53.95 4.21 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.551 1.069 . . . . 0.0 110.39 170.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.419 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -75.67 -1.16 23.45 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 0.0 114.7 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -54.1 -50.54 66.61 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.196 1.362 . . . . 0.0 114.175 -174.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.31 -22.61 64.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -88.08 -29.61 20.51 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.996 1.319 . . . . 0.0 112.673 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 -42.22 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.383 1.073 . . . . 0.0 111.682 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.19 39.07 53.61 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.61 149.89 49.0 Favored Pre-proline 0 N--CA 1.48 1.059 0 CA-C-N 118.759 1.28 . . . . 0.0 113.013 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.31 -34.37 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.228 2.619 . . . . 0.0 113.21 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.407 HG23 ' CG ' ' A' ' 43' ' ' TRP . 8.5 p -65.11 -28.24 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.275 -0.89 . . . . 0.0 112.285 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.64 -45.26 93.63 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.822 1.649 . . . . 0.0 111.831 173.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.3 95.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.133 0.573 . . . . 0.0 112.338 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -64.58 -36.75 85.23 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.243 -0.911 . . . . 0.0 112.704 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.62 -45.05 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.334 1.054 . . . . 0.0 111.282 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -37.45 83.06 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.706 1.139 . . . . 0.0 111.697 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.49 -36.9 85.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.44 1.496 . . . . 0.0 113.41 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.66 -51.02 60.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.873 0.869 . . . . 0.0 112.225 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.86 -14.77 63.23 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -65.91 -61.81 1.85 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.873 1.269 . . . . 0.0 112.112 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -75.8 -17.59 59.81 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -57.74 -0.66 0.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.276 2.23 . . . . 0.0 115.621 162.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 tp -105.72 -31.51 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 120.676 1.58 . . . . 0.0 110.985 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -71.44 -50.62 29.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.275 1.03 . . . . 0.0 110.152 169.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -61.36 -26.58 67.92 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.926 0.89 . . . . 0.0 113.232 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.3 tp -81.05 -28.0 35.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.805 1.242 . . . . 0.0 113.421 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.1 -32.88 74.6 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.411 1.459 . . . . 0.0 110.838 164.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -57.16 -24.65 55.78 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.08 -1.012 . . . . 0.0 113.095 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.628 HG12 HD13 ' A' ' 30' ' ' LEU . 16.0 mt -67.18 -15.27 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 120.086 1.312 . . . . 0.0 114.035 177.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 . . . . . 0 CA--C 1.551 0.995 0 C-N-CA 126.162 1.785 . . . . 0.0 114.685 -175.188 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.93 ' CE2' HG23 ' B' ' 25' ' ' VAL . 4.0 t80 . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.47 -28.28 68.46 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -67.53 -45.71 74.92 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.142 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.59 -41.02 84.8 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.202 0.91 . . . . 0.0 111.906 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.858 HD23 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mp -60.68 -56.92 15.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.077 0.951 . . . . 0.0 112.984 171.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.22 -54.48 13.39 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.041 0.837 . . . . 0.0 113.025 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -75.99 3.33 10.52 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.89 -45.83 5.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.785 1.234 . . . . 0.0 111.309 158.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.541 ' OE2' ' OE2' ' B' ' 37' ' ' GLU . 3.0 mm-40 -75.82 -36.77 59.57 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.658 1.117 . . . . 0.0 112.805 -170.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.1 64.99 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.712 -1.242 . . . . 0.0 112.453 170.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.0 -42.6 98.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.251 0.62 . . . . 0.0 111.045 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HB1' HD13 ' B' ' 10' ' ' LEU . . . -65.3 -39.16 92.15 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.804 1.242 . . . . 0.0 113.028 173.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttm -57.54 -42.07 82.19 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.292 0.951 . . . . 0.0 112.833 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.1 -30.69 64.57 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 171.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.83 -35.8 11.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.779 1.232 . . . . 0.0 111.14 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.2 m-85 -61.32 -40.13 93.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.063 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.96 -40.48 97.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 168.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HG2' ' OH ' ' B' ' 3' ' ' TYR . 21.7 tt0 -76.77 -49.05 16.85 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.716 0.77 . . . . 0.0 112.452 -171.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.76 -42.15 88.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.133 0.973 . . . . 0.0 111.347 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -56.48 -49.65 74.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.017 0.826 . . . . 0.0 112.444 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.46 -30.23 60.18 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -99.84 -32.05 11.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.2 t -84.3 -34.62 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.826 1.25 . . . . 0.0 111.728 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.45 9.24 87.12 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.165 1.226 . . . . 0.0 116.165 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.22 135.38 44.48 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 119.015 1.408 . . . . 0.0 112.169 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.15 -34.79 21.26 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.818 2.345 . . . . 0.0 112.686 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.15 -34.69 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.325 -0.86 . . . . 0.0 112.139 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.636 ' CD1' HG12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -64.7 -40.08 94.76 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.474 -0.766 . . . . 0.0 111.537 175.741 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.18 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 170.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -67.37 -24.08 65.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.58 -39.29 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.001 0.819 . . . . 0.0 111.649 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -30.42 71.56 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.193 0.906 . . . . 0.0 112.885 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.02 -40.01 75.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.124 1.37 . . . . 0.0 113.065 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.35 -41.29 80.91 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.524 -0.735 . . . . 0.0 112.122 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' OE2' ' ND1' ' B' ' 40' ' ' HIS . 28.3 mm-40 -68.3 -3.67 11.74 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 174.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -84.84 -42.58 14.96 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.446 -1.409 . . . . 0.0 113.069 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -40.77 98.03 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.865 -1.147 . . . . 0.0 110.616 170.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.595 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 2.2 m170 -54.77 -9.41 0.34 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 129.851 3.261 . . . . 0.0 117.216 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.45 -26.67 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.204 1.402 . . . . 0.0 111.691 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.71 -55.75 23.87 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.173 -0.954 . . . . 0.0 110.952 163.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.466 ' CZ3' ' HE3' ' B' ' 32' ' ' LYS . 29.7 m0 -61.12 -33.69 73.78 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.31 0.644 . . . . 0.0 112.236 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -50.63 69.95 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.249 1.42 . . . . 0.0 112.558 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.54 -41.61 96.24 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -57.61 -37.19 72.83 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.598 0.759 . . . . 0.0 112.354 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -65.67 -11.35 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 C-N-CA 125.575 1.55 . . . . 0.0 114.429 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 t30 . . . . . 0 CA--C 1.551 0.996 0 C-N-CA 124.725 1.21 . . . . 0.0 113.849 170.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.591 ' OH ' ' HG2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -43.88 -36.03 2.22 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.955 2.502 . . . . 0.0 115.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -66.74 -35.07 79.24 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.268 1.394 . . . . 0.0 113.307 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.04 -36.95 84.63 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.448 1.022 . . . . 0.0 112.331 169.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -45.74 77.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.265 0.484 . . . . 0.0 111.761 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.45 -46.99 66.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.527 1.531 . . . . 0.0 111.954 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -66.16 1.57 1.47 Allowed 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.88 1.808 . . . . 0.0 115.88 172.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.438 HD13 ' HB1' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.94 -45.7 3.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.616 1.967 . . . . 0.0 110.165 173.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.487 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 9.6 mm-40 -74.72 -46.33 38.28 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.676 0.79 . . . . 0.0 111.501 -171.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.51 -31.99 72.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.259 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.74 -47.71 84.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.404 1.081 . . . . 0.0 111.785 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -39.27 92.56 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.538 -0.727 . . . . 0.0 112.637 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -37.6 74.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -55.53 -48.32 74.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.122 0.874 . . . . 0.0 111.87 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.18 -39.96 74.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.685 1.194 . . . . 0.0 111.995 -173.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.858 ' CE1' HD23 ' A' ' 7' ' ' LEU . 17.0 m-85 -60.86 -31.47 70.92 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -86.53 -30.5 21.88 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -70.22 -54.3 13.37 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.099 0.952 . . . . 0.0 111.358 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.539 ' CB ' ' CD1' ' A' ' 3' ' ' TYR . . . -80.37 41.17 0.52 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.425 1.89 . . . . 0.0 112.893 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -91.03 -54.37 3.98 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.358 -0.839 . . . . 0.0 111.065 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.51 -29.82 70.83 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -29.89 42.84 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.557 1.143 . . . . 0.0 113.321 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.93 HG23 ' CE2' ' A' ' 3' ' ' TYR . 84.7 t -92.54 -40.56 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.487 0.715 . . . . 0.0 112.458 -175.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.12 36.24 81.01 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 172.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.14 135.06 23.69 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.612 1.165 . . . . 0.0 111.178 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -66.5 -21.8 52.54 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.832 2.355 . . . . 0.0 114.996 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -30.02 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 120.502 1.501 . . . . 0.0 112.581 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.616 HD23 ' OH ' ' A' ' 3' ' ' TYR . 4.8 mp -59.04 -35.05 72.66 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.202 -0.937 . . . . 0.0 112.701 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.21 71.21 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.466 ' HE3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -83.26 -35.64 25.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.569 0.748 . . . . 0.0 110.841 172.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.79 -35.57 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.51 -41.01 75.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.37 1.068 . . . . 0.0 113.248 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.03 -42.27 98.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.202 1.001 . . . . 0.0 111.487 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.595 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 72.0 m-20 -57.94 -50.39 73.54 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.626 0.77 . . . . 0.0 111.38 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.541 ' OE2' ' OE2' ' A' ' 11' ' ' GLU . 29.6 mm-40 -68.83 -28.1 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.472 -0.767 . . . . 0.0 112.625 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.83 -35.68 77.26 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.816 -1.177 . . . . 0.0 113.332 170.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -43.96 77.79 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.81 -1.181 . . . . 0.0 109.987 172.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.549 ' ND1' ' OE2' ' A' ' 37' ' ' GLU . 50.6 m170 -56.38 -33.52 65.81 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.029 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.75 -34.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.479 1.912 . . . . 0.0 111.348 -175.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.26 -46.8 72.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.696 0.798 . . . . 0.0 109.872 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -61.84 -30.72 71.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.731 0.813 . . . . 0.0 112.593 171.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.53 -55.36 36.0 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.05 0.94 . . . . 0.0 112.684 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -69.58 -29.74 67.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.01 0.924 . . . . 0.0 112.5 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.2 m -62.28 -29.97 70.8 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.364 -0.835 . . . . 0.0 112.156 170.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.636 HG12 ' CD1' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -68.45 -7.02 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -179.278 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 CA--C 1.546 0.797 0 C-N-CA 125.592 1.557 . . . . 0.0 114.854 175.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.8 mt -51.13 -34.37 30.61 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.87 2.468 . . . . 0.0 112.508 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.32 -43.33 61.06 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.409 -1.432 . . . . 0.0 112.028 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -39.74 92.2 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.367 1.067 . . . . 0.0 112.014 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.27 -54.74 43.57 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.072 1.349 . . . . 0.0 111.446 171.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -51.7 56.43 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.559 0.744 . . . . 0.0 112.965 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -1.74 13.89 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.9 -38.33 7.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.192 0.997 . . . . 0.0 111.485 166.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.45 -44.65 34.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.884 0.874 . . . . 0.0 112.113 -172.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.3 75.02 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.549 -0.719 . . . . 0.0 111.905 172.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.0 89.94 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.733 1.213 . . . . 0.0 112.704 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -45.26 79.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.511 0.724 . . . . 0.0 112.27 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -53.52 -41.74 66.67 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.576 1.151 . . . . 0.0 113.015 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -50.58 -35.91 32.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.823 1.649 . . . . 0.0 114.13 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.3 mt -92.29 -41.16 10.54 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.974 1.71 . . . . 0.0 110.971 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.882 ' CE1' HD21 ' B' ' 7' ' ' LEU . 12.5 m-85 -55.74 -43.15 76.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.583 0.753 . . . . 0.0 111.821 172.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -69.53 -29.45 67.06 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.276 -0.89 . . . . 0.0 113.181 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.49 -45.1 66.32 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.969 0.908 . . . . 0.0 110.699 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.98 76.14 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -62.59 -44.99 94.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.401 -0.812 . . . . 0.0 112.421 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -64.66 -35.99 82.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.627 0.771 . . . . 0.0 113.039 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -67.21 -39.48 86.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -144.53 -57.19 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.574 0.749 . . . . 0.0 111.923 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.27 -65.82 0.57 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.339 1.447 . . . . 0.0 111.502 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 48.87 129.84 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 129.622 3.169 . . . . 0.0 116.554 -172.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.82 -40.51 5.14 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.964 1.776 . . . . 0.0 113.876 -168.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG2' ' CE3' ' B' ' 43' ' ' TRP . 2.6 p -75.17 -25.33 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.714 0.688 . . . . 0.0 112.067 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.54 -42.84 77.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.019 1.327 . . . . 0.0 111.922 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.67 79.01 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.444 -0.785 . . . . 0.0 112.261 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -65.32 -39.38 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.0 0.92 . . . . 0.0 112.927 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mt -60.96 -47.26 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.032 0.933 . . . . 0.0 111.615 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -32.73 74.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.312 0.96 . . . . 0.0 112.192 178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.4 -39.02 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.377 1.471 . . . . 0.0 112.871 171.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.692 ' CB ' ' HE2' ' B' ' 40' ' ' HIS . 86.2 m-20 -72.1 -41.12 67.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.072 -1.018 . . . . 0.0 112.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' OE2' ' OE2' ' B' ' 11' ' ' GLU . 33.3 mm-40 -63.93 -6.43 6.07 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 171.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -78.94 -54.33 6.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.24 1.382 . . . . 0.0 112.36 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -53.58 -39.48 64.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.126 0.971 . . . . 0.0 111.36 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.671 ' CE1' HG22 ' B' ' 33' ' ' ILE . 7.9 m170 -57.08 -6.3 0.35 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.941 2.897 . . . . 0.0 117.0 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -110.31 -37.82 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.405 1.457 . . . . 0.0 109.972 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.93 -52.94 62.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.291 -0.881 . . . . 0.0 111.161 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.558 ' CD2' ' CG2' ' B' ' 29' ' ' VAL . 40.6 m0 -59.99 -33.28 71.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.22 0.608 . . . . 0.0 112.18 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.35 -57.17 12.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.412 1.485 . . . . 0.0 112.384 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -31.08 34.26 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.217 1.007 . . . . 0.0 112.299 -178.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.6 m -60.59 -34.99 75.02 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.848 -1.157 . . . . 0.0 111.854 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.13 -8.56 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 CA--C 1.547 0.831 0 O-C-N 120.586 -1.321 . . . . 0.0 113.887 166.798 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.5 p90 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pp -48.77 -27.33 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.559 2.344 . . . . 0.0 115.396 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -71.47 -38.06 71.28 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.268 1.827 . . . . 0.0 113.385 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.68 -45.79 85.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 119.15 0.886 . . . . 0.0 111.355 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.882 HD21 ' CE1' ' A' ' 18' ' ' TYR . 1.3 mt -57.61 -42.56 83.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.754 0.706 . . . . 0.0 111.999 176.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.4 -51.88 66.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.428 0.691 . . . . 0.0 112.019 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.75 15.97 0.09 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.711 1.604 . . . . 0.0 115.127 170.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 71.0 mt -125.18 -39.24 2.24 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.529 1.532 . . . . 0.0 111.608 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.474 ' OE2' ' OE2' ' A' ' 37' ' ' GLU . 5.5 mm-40 -77.37 -51.62 10.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.439 1.096 . . . . 0.0 111.065 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -36.84 84.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.276 1.03 . . . . 0.0 112.953 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.96 -44.44 96.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.392 0.677 . . . . 0.0 111.991 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.4 99.02 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.824 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.88 -40.63 66.75 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.101 1.318 . . . . 0.0 113.87 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -54.18 -50.2 67.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.529 0.731 . . . . 0.0 112.316 172.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt -72.98 -38.21 66.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.619 1.567 . . . . 0.0 111.911 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.94 -44.25 82.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.272 1.429 . . . . 0.0 110.758 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -74.69 -36.17 62.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.986 0.812 . . . . 0.0 111.532 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.59 -46.74 81.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.642 0.777 . . . . 0.0 111.305 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.66 83.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.119 1.368 . . . . 0.0 111.975 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -57.95 -45.65 86.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.171 0.896 . . . . 0.0 112.473 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.31 -20.81 65.82 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -44.22 9.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.472 1.109 . . . . 0.0 112.82 171.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.5 t -84.37 -39.65 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.119 1.367 . . . . 0.0 112.695 -169.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.66 9.25 82.43 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.103 1.335 . . . . 0.0 116.367 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 138.38 83.24 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.546 1.673 . . . . 0.0 112.696 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.28 -35.15 11.58 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.953 2.436 . . . . 0.0 113.209 -173.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.558 ' CG2' ' CD2' ' A' ' 43' ' ' TRP . 9.7 p -67.09 -32.96 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.507 -0.746 . . . . 0.0 111.812 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -41.63 88.34 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.499 -0.751 . . . . 0.0 111.02 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.02 95.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 113.045 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -59.84 -38.95 83.52 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.821 0.848 . . . . 0.0 112.655 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.671 HG22 ' CE1' ' A' ' 40' ' ' HIS . 54.2 mt -61.74 -29.92 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.46 -0.781 . . . . 0.0 113.0 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 31.0 mt -55.79 -41.54 74.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 120.382 1.447 . . . . 0.0 111.389 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -43.52 71.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.594 1.558 . . . . 0.0 113.119 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -44.98 96.51 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.622 -0.674 . . . . 0.0 111.482 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 40' ' ' HIS . 43.8 mm-40 -73.38 -19.8 60.91 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.971 -1.08 . . . . 0.0 113.174 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -45.78 73.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.697 1.135 . . . . 0.0 112.295 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -70.96 -37.72 72.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.367 -0.833 . . . . 0.0 111.354 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.692 ' HE2' ' CB ' ' A' ' 36' ' ' ASP . 26.4 m170 -51.19 -44.64 61.59 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 tt -83.58 -33.27 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.832 1.653 . . . . 0.0 111.189 -170.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.13 -47.85 82.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.096 0.862 . . . . 0.0 109.831 165.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.435 ' CE3' ' CG2' ' A' ' 29' ' ' VAL . 50.4 m0 -72.05 -34.99 69.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.086 0.954 . . . . 0.0 113.383 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -66.28 -38.99 89.08 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.513 0.725 . . . . 0.0 111.317 172.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -68.3 -44.99 74.25 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.235 -0.916 . . . . 0.0 111.677 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -58.11 -23.71 55.93 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.33 1.052 . . . . 0.0 113.405 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -5.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -179.373 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.416 ' OH ' ' HD2' ' B' ' 24' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -34.29 63.6 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.561 1.944 . . . . 0.0 114.803 -170.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -59.21 -43.93 92.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.796 0.839 . . . . 0.0 112.761 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.58 -33.07 75.05 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.944 0.793 . . . . 0.0 112.182 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.93 -45.96 69.47 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 118.507 0.594 . . . . 0.0 110.71 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -50.89 57.36 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.285 1.434 . . . . 0.0 111.652 170.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.88 2.89 0.92 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.9 mt -122.58 -37.32 2.79 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.343 1.457 . . . . 0.0 113.231 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -75.58 -30.56 59.68 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.788 -1.195 . . . . 0.0 111.994 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.15 6.77 7.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.348 1.459 . . . . 0.0 113.595 168.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.31 -44.34 1.58 Allowed 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.833 1.253 . . . . 0.0 111.688 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 59.68 0.06 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.718 0.807 . . . . 0.0 110.059 151.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.0 tpp -158.31 -51.78 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.067 1.747 . . . . 0.0 113.589 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.13 -42.1 98.9 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.297 0.953 . . . . 0.0 112.317 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -31.73 64.94 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.629 0.772 . . . . 0.0 110.968 178.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 1.02 ' CE1' HD21 ' B' ' 7' ' ' LEU . 2.6 m-85 -60.15 -54.89 40.46 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.78 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -60.45 -37.18 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.97 1.259 . . . . 0.0 113.537 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.35 -51.49 69.3 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.607 1.094 . . . . 0.0 111.825 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.7 89.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.986 0.915 . . . . 0.0 112.427 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -64.37 -37.84 88.92 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.494 1.117 . . . . 0.0 113.161 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.51 -28.55 60.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.749 1.219 . . . . 0.0 112.81 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -89.84 -68.11 0.8 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.054 0.941 . . . . 0.0 110.985 169.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.53 -69.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.162 1.785 . . . . 0.0 110.764 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.64 -4.11 3.21 Favored Glycine 0 CA--C 1.544 1.902 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.564 ' CB ' HG12 ' B' ' 47' ' ' ILE . 12.4 t70 70.47 136.04 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 128.182 2.593 . . . . 0.0 111.746 -157.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.09 -18.37 50.67 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.831 2.354 . . . . 0.0 115.858 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.935 ' CG1' HD13 ' B' ' 47' ' ' ILE . 3.8 p -65.86 -25.21 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.652 1.569 . . . . 0.0 113.144 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.13 -41.51 88.41 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.933 -1.104 . . . . 0.0 111.594 174.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.12 0.14 1.02 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 172.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -116.96 -31.17 5.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.845 1.658 . . . . 0.0 110.716 172.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.85 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 121.866 -0.521 . . . . 0.0 111.237 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.84 -23.77 66.75 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.92 72.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.298 1.439 . . . . 0.0 112.826 169.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.557 ' OD2' ' NE2' ' B' ' 40' ' ' HIS . 90.6 m-20 -59.12 -46.58 87.96 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.375 -0.828 . . . . 0.0 110.932 171.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 24.4 mm-40 -67.51 -12.25 59.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.69 -51.73 18.16 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.79 -1.194 . . . . 0.0 111.485 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.14 -34.55 73.68 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 121.583 -0.698 . . . . 0.0 111.317 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.579 ' CE1' HG22 ' B' ' 33' ' ' ILE . 27.2 m170 -62.32 -5.12 2.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.252 2.221 . . . . 0.0 116.282 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -31.3 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.441 1.496 . . . . 0.0 110.872 176.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.93 -49.98 58.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.683 0.793 . . . . 0.0 111.146 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -60.79 -34.55 74.67 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 172.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -58.25 9.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.505 1.122 . . . . 0.0 111.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -68.19 -38.5 82.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.986 0.914 . . . . 0.0 112.356 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.3 m -57.12 -23.5 47.59 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.79 1.236 . . . . 0.0 113.86 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.34 -9.8 9.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 127.158 2.183 . . . . 0.0 110.274 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.8 t30 . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 126.669 1.988 . . . . 0.0 112.846 173.313 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 55.8 p90 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.29 -14.58 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -68.66 -38.77 80.67 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.233 1.379 . . . . 0.0 111.104 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.01 -43.69 98.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.303 168.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 1.02 HD21 ' CE1' ' A' ' 18' ' ' TYR . 87.4 mt -56.65 -52.02 66.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.648 1.113 . . . . 0.0 112.058 174.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.05 47.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.347 1.059 . . . . 0.0 112.727 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -74.92 -2.37 26.71 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.4 mt -103.54 -38.08 7.29 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.728 1.611 . . . . 0.0 111.54 167.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.492 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 5.3 mm-40 -77.49 -36.0 53.08 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.561 1.073 . . . . 0.0 112.059 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.556 1.071 . . . . 0.0 112.586 169.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -54.79 24.84 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.019 0.528 . . . . 0.0 110.602 169.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.86 46.07 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.181 2.192 . . . . 0.0 113.598 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -45.67 0.21 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.903 1.681 . . . . 0.0 111.472 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.85 -51.96 65.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.616 0.766 . . . . 0.0 112.052 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.04 69.12 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.37 -43.56 97.28 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.562 1.074 . . . . 0.0 111.988 -173.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.75 -44.64 86.26 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.5 -48.11 65.29 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.589 1.086 . . . . 0.0 112.547 -172.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.59 91.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.622 1.169 . . . . 0.0 111.272 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -58.64 -43.96 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.261 0.625 . . . . 0.0 112.494 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.21 -25.57 47.7 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.82 1.248 . . . . 0.0 114.054 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 0.416 ' HD2' ' OH ' ' A' ' 3' ' ' TYR . 58.1 mtt180 -104.76 -42.71 5.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.571 1.149 . . . . 0.0 113.723 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.97 -35.34 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.196 1.398 . . . . 0.0 112.054 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 1.68 56.9 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 133.85 91.82 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 119.718 1.759 . . . . 0.0 112.005 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.18 -34.13 10.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.696 2.264 . . . . 0.0 113.489 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.84 -29.48 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.27 0.941 . . . . 0.0 112.165 175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -43.08 95.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.193 0.997 . . . . 0.0 111.213 172.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.09 99.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.028 0.531 . . . . 0.0 112.324 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.82 -34.31 72.89 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.342 1.057 . . . . 0.0 113.013 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.579 HG22 ' CE1' ' A' ' 40' ' ' HIS . 66.0 mt -66.02 -41.66 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.842 -0.599 . . . . 0.0 111.714 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -37.98 84.77 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.397 0.999 . . . . 0.0 111.899 174.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.84 -38.07 89.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.745 1.218 . . . . 0.0 112.276 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -74.59 -33.53 62.66 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.473 ' OE2' ' ND1' ' A' ' 40' ' ' HIS . 59.4 mm-40 -72.06 -13.77 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.232 -1.543 . . . . 0.0 113.315 171.036 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.23 -53.47 29.89 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.325 0.966 . . . . 0.0 112.392 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -24.69 64.0 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.557 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 14.2 m170 -59.03 -14.77 10.49 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 tt -115.31 -24.8 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.16 1.384 . . . . 0.0 112.645 -167.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.85 -48.99 76.65 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.439 -0.788 . . . . 0.0 110.042 158.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -60.41 -36.52 78.33 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.484 0.714 . . . . 0.0 112.593 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.98 -48.26 80.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.857 1.263 . . . . 0.0 112.443 174.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -65.58 -43.25 90.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.775 1.23 . . . . 0.0 112.214 175.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 98.1 m -55.78 -40.37 72.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.163 0.985 . . . . 0.0 112.403 173.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.935 HD13 ' CG1' ' A' ' 29' ' ' VAL . 36.5 mt -61.72 -13.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.511 1.925 . . . . 0.0 114.835 174.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 N--CA 1.471 0.623 0 C-N-CA 125.607 1.563 . . . . 0.0 114.014 179.383 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 1.123 ' OH ' ' HB3' ' B' ' 20' ' ' GLU . 5.4 t80 . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.78 -25.55 68.28 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 127.738 2.415 . . . . 0.0 114.981 -171.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -55.82 -43.23 76.77 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.693 0.797 . . . . 0.0 112.601 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.41 -35.63 76.24 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.206 0.912 . . . . 0.0 112.531 175.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.614 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 2.0 mp -71.13 -46.58 61.35 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.565 1.146 . . . . 0.0 112.265 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -48.21 66.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.484 0.713 . . . . 0.0 112.809 169.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -69.02 7.11 0.76 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 173.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.822 HD13 ' HB1' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -122.01 -45.82 2.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.885 2.074 . . . . 0.0 110.449 176.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' B' ' 37' ' ' GLU . 5.4 mm-40 -73.97 -48.22 31.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.113 0.965 . . . . 0.0 111.014 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.3 69.88 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.53 -0.731 . . . . 0.0 112.097 174.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.15 -47.27 86.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.837 0.855 . . . . 0.0 111.672 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.61 95.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.454 0.702 . . . . 0.0 112.32 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -40.42 75.41 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.48 1.036 . . . . 0.0 113.446 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -55.95 -46.75 78.45 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.082 0.856 . . . . 0.0 112.358 172.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' B' ' 6' ' ' GLU . 65.5 mt -70.74 -41.51 71.73 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.037 0.935 . . . . 0.0 111.601 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.3 -39.41 92.9 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.641 0.776 . . . . 0.0 111.565 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -74.23 -33.86 63.49 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.354 0.979 . . . . 0.0 112.51 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.24 -46.88 81.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.449 0.568 . . . . 0.0 110.8 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' CB ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.92 -42.76 98.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.868 1.267 . . . . 0.0 112.664 172.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -56.05 -51.13 68.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.251 -0.905 . . . . 0.0 112.109 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -71.88 -1.31 13.83 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -114.91 -17.65 11.47 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.812 1.645 . . . . 0.0 114.45 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 t -131.6 -32.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.183 0.993 . . . . 0.0 112.96 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.11 71.54 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 171.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.07 139.93 95.95 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 119.574 1.687 . . . . 0.0 112.309 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.29 -34.81 9.35 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.783 2.322 . . . . 0.0 113.399 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -71.39 -26.0 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.278 -0.889 . . . . 0.0 112.693 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -39.11 82.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.172 0.989 . . . . 0.0 111.556 172.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.38 70.07 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -81.26 -30.71 34.01 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.315 -0.866 . . . . 0.0 113.122 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 ' CD2' ' B' ' 40' ' ' HIS . 95.7 mt -55.63 -45.57 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.716 1.207 . . . . 0.0 111.346 164.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.97 -43.89 91.44 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.297 0.953 . . . . 0.0 112.024 175.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -42.69 99.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.923 1.289 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.406 ' HB2' ' HE2' ' B' ' 40' ' ' HIS . 21.9 m-20 -68.75 -42.71 77.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.236 0.615 . . . . 0.0 111.966 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' OE2' ' OE1' ' B' ' 37' ' ' GLU . 50.7 mm-40 -67.19 -26.35 66.58 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.749 -1.219 . . . . 0.0 113.535 173.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.95 -46.18 90.23 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.018 1.735 . . . . 0.0 112.06 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -57.73 -41.44 81.83 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.879 -0.513 . . . . 0.0 111.202 173.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.658 ' CD2' HG12 ' B' ' 33' ' ' ILE . 34.6 m170 -65.08 -13.2 57.41 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.83 -38.88 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.96 1.704 . . . . 0.0 109.663 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.21 -48.65 79.7 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.47 -0.768 . . . . 0.0 111.028 171.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.534 ' CD2' ' CG2' ' B' ' 29' ' ' VAL . 28.4 m0 -63.99 -34.89 79.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.478 0.711 . . . . 0.0 112.423 172.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -59.55 4.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.739 0.816 . . . . 0.0 111.656 176.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.51 -41.73 97.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 111.777 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 m -59.02 -31.15 68.56 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.286 1.034 . . . . 0.0 112.923 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.82 -19.87 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.363 1.065 . . . . 0.0 113.172 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.245 1.418 . . . . 0.0 114.102 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.587 ' CE2' ' CB ' ' A' ' 21' ' ' ALA . 42.5 p90 . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 119.724 -0.179 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -29.97 -45.79 0.06 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 129.805 3.242 . . . . 0.0 113.958 164.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -73.25 -41.87 63.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.996 1.319 . . . . 0.0 112.911 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' LEU . 8.0 mt-10 -61.6 -28.13 69.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.273 -0.87 . . . . 0.0 112.113 168.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.02 -55.44 14.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.667 1.121 . . . . 0.0 110.432 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -51.11 63.1 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.359 1.063 . . . . 0.0 113.681 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -73.38 -5.27 38.66 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 54.4 mt -100.26 -40.64 7.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.329 0.513 . . . . 0.0 111.721 165.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.08 -35.34 64.22 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.267 -0.896 . . . . 0.0 112.666 -171.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -31.62 57.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.187 -0.945 . . . . 0.0 112.483 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -40.47 97.65 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.568 -0.707 . . . . 0.0 111.844 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.822 ' HB1' HD13 ' A' ' 10' ' ' LEU . . . -52.38 -44.45 65.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.733 0.813 . . . . 0.0 112.118 172.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.83 -40.3 97.0 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -59.49 -44.96 92.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.343 0.657 . . . . 0.0 112.14 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 mt -68.51 -40.34 80.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.055 0.942 . . . . 0.0 111.859 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.614 ' CE1' ' CD2' ' A' ' 7' ' ' LEU . 9.5 m-85 -63.33 -42.19 98.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.414 0.686 . . . . 0.0 111.679 177.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -73.61 -26.84 60.98 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.358 0.981 . . . . 0.0 113.221 174.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . 1.123 ' HB3' ' OH ' ' A' ' 3' ' ' TYR . 21.1 tt0 -70.57 -53.48 15.86 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.075 0.852 . . . . 0.0 111.632 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.925 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -56.16 -24.03 38.72 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.764 1.226 . . . . 0.0 113.623 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -37.12 71.74 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.606 1.163 . . . . 0.0 113.513 171.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -23.83 63.78 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -91.58 -42.55 10.15 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.316 1.046 . . . . 0.0 113.512 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 t -135.38 -54.78 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.846 0.748 . . . . 0.0 112.933 -171.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.65 51.32 53.18 Favored Glycine 0 CA--C 1.535 1.341 0 N-CA-C 114.657 0.623 . . . . 0.0 114.657 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.67 148.93 9.0 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.164 0.986 . . . . 0.0 112.193 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.09 -31.54 75.72 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.043 1.829 . . . . 0.0 112.909 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.534 ' CG2' ' CD2' ' A' ' 43' ' ' TRP . 7.1 p -71.88 -28.18 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 174.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.53 -41.82 90.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.784 1.234 . . . . 0.0 111.239 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.53 97.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.24 -36.11 83.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.996 0.918 . . . . 0.0 112.897 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.658 HG12 ' CD2' ' A' ' 40' ' ' HIS . 60.5 mt -68.46 -45.63 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.693 0.797 . . . . 0.0 111.771 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -29.16 70.53 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.348 0.976 . . . . 0.0 112.083 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -40.26 96.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.837 1.655 . . . . 0.0 112.739 170.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.597 ' HB2' ' HE2' ' A' ' 40' ' ' HIS . 71.8 m-20 -75.13 -37.06 61.55 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.191 -0.943 . . . . 0.0 112.649 175.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.502 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 32.5 mm-40 -65.0 -13.82 58.81 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.315 -0.866 . . . . 0.0 113.158 169.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.18 -49.09 53.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.143 1.338 . . . . 0.0 111.861 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -42.07 61.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.582 0.753 . . . . 0.0 111.133 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.552 ' CD2' HG12 ' A' ' 33' ' ' ILE . 33.0 m170 -66.94 -1.87 4.57 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 116.215 1.932 . . . . 0.0 116.215 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -111.71 -40.09 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.323 1.449 . . . . 0.0 110.184 173.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -48.92 74.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.307 -0.87 . . . . 0.0 111.735 173.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -64.76 -29.34 70.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.474 0.71 . . . . 0.0 112.475 173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -59.82 4.8 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.314 1.446 . . . . 0.0 111.646 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.68 -33.96 76.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.5 1.12 . . . . 0.0 111.51 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.9 m -60.49 -22.13 63.19 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.516 1.126 . . . . 0.0 113.484 170.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.35 -6.98 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.818 1.647 . . . . 0.0 114.245 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 CA--C 1.547 0.86 0 C-N-CA 125.374 1.47 . . . . 0.0 114.532 176.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' B' ' 21' ' ' ALA 0.253 1.8 p90 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -56.2 -19.15 12.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.919 2.487 . . . . 0.0 115.321 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -58.4 -34.28 70.57 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.0 -1.062 . . . . 0.0 113.842 171.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.1 -38.32 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.005 1.275 . . . . 0.0 112.488 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.3 -55.86 29.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.246 1.419 . . . . 0.0 110.75 167.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -50.11 43.45 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.246 0.546 . . . . 0.0 112.294 176.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -66.89 -3.63 7.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -113.76 -35.73 5.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.915 1.286 . . . . 0.0 112.096 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.37 -40.31 70.68 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.89 1.276 . . . . 0.0 112.179 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -79.55 -18.77 51.05 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.207 -0.933 . . . . 0.0 113.453 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -72.81 -43.86 62.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.06 -1.025 . . . . 0.0 110.786 166.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 47.85 0.16 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.876 2.07 . . . . 0.0 112.924 165.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.2 tpp -153.35 -53.36 0.11 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.217 1.807 . . . . 0.0 111.265 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -59.83 -43.51 94.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.732 0.696 . . . . 0.0 111.648 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -70.41 -42.45 71.64 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.054 1.341 . . . . 0.0 111.672 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.405 ' CE2' HD22 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -64.39 -27.97 69.37 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.656 0.783 . . . . 0.0 112.618 178.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -95.37 -17.37 21.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 -56.44 6.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.189 0.904 . . . . 0.0 111.217 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 50.45 1.15 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.114 1.766 . . . . 0.0 113.524 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -105.64 -50.9 3.1 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.959 0.904 . . . . 0.0 111.399 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.81 -38.17 90.12 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -72.54 -33.84 67.13 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.36 -41.3 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 118.474 0.579 . . . . 0.0 112.485 -171.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.43 -12.63 9.64 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 171.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -66.96 136.72 94.43 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-N 119.802 1.801 . . . . 0.0 112.799 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.29 -29.41 7.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.998 2.465 . . . . 0.0 113.875 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.77 -27.82 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 120.999 -1.063 . . . . 0.0 112.746 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.38 -41.35 93.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.775 1.63 . . . . 0.0 112.009 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.77 73.29 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.61 -0.681 . . . . 0.0 112.692 170.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -65.0 -34.75 79.18 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.098 -1.001 . . . . 0.0 112.79 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.7 -49.92 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.327 1.051 . . . . 0.0 111.611 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.289 1.7 pp -64.85 -17.35 64.2 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.873 1.67 . . . . 0.0 113.594 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -79.21 -43.85 23.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.549 1.539 . . . . 0.0 113.919 165.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.52 -46.11 84.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.014 1.326 . . . . 0.0 112.777 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.89 -10.43 53.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.37 -48.07 52.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 112.278 170.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -59.43 -37.46 78.15 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -62.89 -11.46 18.51 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -107.17 -38.86 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 126.837 2.055 . . . . 0.0 109.596 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.13 -45.97 92.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.074 -1.016 . . . . 0.0 111.682 172.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -64.62 -32.59 74.31 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.885 0.874 . . . . 0.0 112.411 171.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -50.74 68.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.707 1.203 . . . . 0.0 112.064 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.24 -39.6 90.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.228 1.411 . . . . 0.0 111.871 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -60.37 -36.05 77.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.552 0.741 . . . . 0.0 112.264 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mt -75.29 -12.49 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.617 1.567 . . . . 0.0 113.777 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 CA--C 1.55 0.977 0 C-N-CA 124.826 1.25 . . . . 0.0 113.987 174.774 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 24.3 t80 . . . . . 0 CA--C 1.536 0.426 0 CA-C-O 118.685 -0.674 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -32.15 2.89 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 115.156 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -58.13 -42.67 86.32 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.615 -1.303 . . . . 0.0 114.043 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -64.67 -28.01 69.31 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.961 1.255 . . . . 0.0 112.417 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.405 HD22 ' CE2' ' A' ' 18' ' ' TYR . 2.5 mp -74.26 -44.44 52.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.269 1.028 . . . . 0.0 111.397 174.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -50.13 67.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.86 1.264 . . . . 0.0 112.256 171.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.83 8.05 1.7 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.301 1.44 . . . . 0.0 114.772 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -114.31 -42.68 3.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.235 1.014 . . . . 0.0 112.333 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.34 -43.61 73.31 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.31 0.959 . . . . 0.0 111.961 -174.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.5 -31.91 65.74 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.229 -0.919 . . . . 0.0 113.024 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.11 -43.55 98.71 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.898 0.879 . . . . 0.0 112.02 173.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.6 74.54 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.802 -0.561 . . . . 0.0 111.945 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.0 tpp -51.0 -41.69 59.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.763 1.225 . . . . 0.0 113.303 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -54.31 -40.77 68.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -79.75 -44.54 20.53 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 125.098 1.359 . . . . 0.0 111.178 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.4 -39.37 67.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.884 1.274 . . . . 0.0 112.21 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -79.77 -24.9 41.18 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -79.92 -51.19 9.4 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.738 0.78 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.413 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -76.43 -15.96 59.8 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -171.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -52.62 -49.67 64.63 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.142 1.337 . . . . 0.0 113.837 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -68.38 -12.29 60.91 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -102.16 -35.5 8.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.35 1.46 . . . . 0.0 112.752 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.15 -39.7 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.887 0.875 . . . . 0.0 111.315 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.27 -20.78 3.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.216 1.389 . . . . 0.0 115.934 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.07 126.45 89.06 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 119.25 1.525 . . . . 0.0 111.671 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.96 -21.36 27.99 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.876 2.384 . . . . 0.0 115.036 -172.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -24.36 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.387 1.449 . . . . 0.0 112.593 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.93 -39.18 74.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.481 1.512 . . . . 0.0 112.17 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.05 85.17 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.52 -0.738 . . . . 0.0 112.938 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.7 -35.47 81.14 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.996 0.918 . . . . 0.0 112.362 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.24 -47.56 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 111.49 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -32.31 72.23 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.361 0.982 . . . . 0.0 112.383 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.88 -42.0 99.61 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.034 1.334 . . . . 0.0 112.759 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -65.42 -47.72 75.26 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.547 0.739 . . . . 0.0 111.403 171.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.99 -26.41 64.07 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.37 -52.2 49.25 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.366 1.439 . . . . 0.0 111.689 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.31 -37.09 69.45 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.713 1.605 . . . . 0.0 112.883 174.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -57.54 -29.42 64.36 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 117.344 -1.312 . . . . 0.0 114.205 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 35.1 mm -75.74 -34.12 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.376 1.871 . . . . 0.0 110.949 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.64 -47.08 82.79 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 171.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -61.61 -31.19 71.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.733 0.813 . . . . 0.0 112.729 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.3 -49.97 73.51 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.72 0.808 . . . . 0.0 112.522 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.47 -33.65 76.04 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.609 -0.682 . . . . 0.0 111.734 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.3 m -55.99 -24.76 40.68 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.0 -1.063 . . . . 0.0 113.365 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.46 -10.11 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 120.157 1.344 . . . . 0.0 113.223 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 CA--C 1.55 0.954 0 C-N-CA 126.332 1.853 . . . . 0.0 114.025 169.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 1.149 ' CZ ' ' CB ' ' B' ' 21' ' ' ALA . 38.6 t80 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.82 -31.36 62.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.535 1.534 . . . . 0.0 114.683 -169.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -54.29 -40.19 67.66 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.477 1.111 . . . . 0.0 113.263 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.9 -34.83 79.03 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.227 0.921 . . . . 0.0 111.798 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -71.38 -42.21 68.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.121 0.968 . . . . 0.0 112.086 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -51.02 34.27 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.739 0.816 . . . . 0.0 112.413 163.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.0 8.32 0.76 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 174.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' CD1' HD11 ' B' ' 17' ' ' LEU . 83.0 mt -118.8 -42.14 2.74 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.915 1.686 . . . . 0.0 111.284 169.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.9 -47.2 39.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.723 1.209 . . . . 0.0 111.866 -174.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.88 -33.74 74.27 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.396 -0.815 . . . . 0.0 112.085 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -60.61 -48.98 79.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.258 1.023 . . . . 0.0 111.706 172.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.75 96.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.54 0.736 . . . . 0.0 112.439 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 tpp -53.84 -44.41 70.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.952 0.901 . . . . 0.0 112.811 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -54.12 -40.24 67.17 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.527 1.131 . . . . 0.0 112.602 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' B' ' 10' ' ' LEU . 71.4 mt -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.052 1.341 . . . . 0.0 112.032 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.527 ' CE1' HD23 ' B' ' 7' ' ' LEU . 11.7 m-85 -66.66 -31.65 72.47 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.315 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -72.39 -33.72 67.4 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.873 1.215 . . . . 0.0 114.01 166.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.23 -53.7 15.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.511 1.124 . . . . 0.0 111.42 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.27 -9.65 58.47 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.869 1.267 . . . . 0.0 114.231 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -56.13 -51.08 69.23 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.627 1.103 . . . . 0.0 113.412 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -61.78 -36.53 81.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.931 0.892 . . . . 0.0 112.159 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -80.28 -28.62 38.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.454 1.102 . . . . 0.0 113.632 -176.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.671 HG21 ' OH ' ' B' ' 3' ' ' TYR . 78.1 t -93.42 -44.98 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.339 1.056 . . . . 0.0 111.792 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.05 -10.03 4.82 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.29 139.72 97.6 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 119.885 1.843 . . . . 0.0 112.205 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.96 -27.29 12.28 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.883 2.389 . . . . 0.0 113.443 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -68.12 -20.12 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.863 1.21 . . . . 0.0 113.324 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.06 -35.19 66.68 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.953 -1.092 . . . . 0.0 112.455 167.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.87 78.5 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.833 0.742 . . . . 0.0 112.593 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.72 -39.69 56.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.835 0.854 . . . . 0.0 112.204 174.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.0 -49.03 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.747 0.819 . . . . 0.0 110.309 173.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.06 -44.13 78.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.882 1.273 . . . . 0.0 112.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -42.13 92.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.333 1.453 . . . . 0.0 111.971 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.83 -46.45 81.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.053 0.541 . . . . 0.0 111.651 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -64.82 -20.64 66.5 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.73 -47.32 75.7 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.442 1.474 . . . . 0.0 112.232 171.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.67 -35.29 74.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.498 0.719 . . . . 0.0 111.379 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.05 -3.21 12.27 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mm -113.62 -37.79 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.718 1.607 . . . . 0.0 109.967 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.59 -48.66 78.77 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.328 -0.857 . . . . 0.0 111.479 171.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -75.36 -30.33 60.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.653 0.781 . . . . 0.0 112.737 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.5 -59.29 4.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.429 1.092 . . . . 0.0 111.163 168.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.13 -42.76 91.4 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.4 1.08 . . . . 0.0 111.996 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 m -59.48 -43.54 93.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.932 0.893 . . . . 0.0 112.307 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -22.1 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.632 1.173 . . . . 0.0 113.432 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 126.439 1.896 . . . . 0.0 113.736 175.117 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.671 ' OH ' HG21 ' A' ' 25' ' ' VAL . 45.4 p90 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.64 -36.94 85.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.546 1.539 . . . . 0.0 112.722 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -68.72 -42.1 78.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.001 0.921 . . . . 0.0 112.375 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -59.34 -40.58 86.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.971 0.805 . . . . 0.0 111.001 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.527 HD23 ' CE1' ' A' ' 18' ' ' TYR . 2.1 mp -55.5 -55.17 34.94 Favored 'General case' 0 N--CA 1.461 0.108 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 171.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -48.15 -52.34 21.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 168.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.04 5.81 0.85 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 17' ' ' LEU . 82.1 mt -118.06 -44.92 2.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.176 1.79 . . . . 0.0 111.657 169.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.13 -45.71 63.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.92 0.782 . . . . 0.0 111.285 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -35.33 79.76 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.438 -0.789 . . . . 0.0 112.85 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -58.65 -49.1 78.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.839 0.856 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.84 92.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -49.03 70.46 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -59.05 -33.0 70.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.539 1.136 . . . . 0.0 112.931 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' A' ' 10' ' ' LEU . 79.4 mt -83.66 -39.22 20.49 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.864 1.666 . . . . 0.0 112.273 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.579 ' CD1' HD21 ' A' ' 7' ' ' LEU . 3.9 m-85 -64.87 -41.65 95.48 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.337 0.398 . . . . 0.0 110.237 -175.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.87 -36.43 83.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.2 -50.24 74.79 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.139 0.975 . . . . 0.0 111.288 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 1.149 ' CB ' ' CZ ' ' A' ' 3' ' ' TYR . . . -69.68 -41.6 75.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.076 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t -54.66 -45.19 73.79 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.054 1.297 . . . . 0.0 112.681 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -64.27 -2.9 2.39 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.761 1.625 . . . . 0.0 115.266 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -125.65 -39.37 2.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.599 1.56 . . . . 0.0 113.247 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.7 t -83.63 -37.33 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.022 1.729 . . . . 0.0 111.741 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.78 1.47 54.49 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.085 1.594 . . . . 0.0 117.085 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.93 136.56 95.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 119.917 1.859 . . . . 0.0 112.268 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.53 -36.05 9.39 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.657 2.238 . . . . 0.0 113.59 -171.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.47 -23.42 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.548 1.067 . . . . 0.0 112.679 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -42.87 99.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 111.387 169.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.59 88.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.532 -0.73 . . . . 0.0 112.284 170.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -60.65 -36.51 78.86 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.934 -1.104 . . . . 0.0 112.995 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.083 0.553 . . . . 0.0 110.763 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -25.69 62.59 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.9 -35.06 77.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.229 1.412 . . . . 0.0 112.38 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -71.1 -43.75 67.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.974 0.51 . . . . 0.0 111.952 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -62.26 -23.53 66.74 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -57.76 -43.53 85.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.151 0.98 . . . . 0.0 112.356 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -42.31 99.05 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.085 0.554 . . . . 0.0 110.945 172.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -67.98 -9.52 46.17 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 tp -114.79 -33.16 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.081 1.753 . . . . 0.0 110.465 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.6 -51.83 66.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.041 0.936 . . . . 0.0 111.36 167.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -67.32 -31.25 71.41 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.464 0.706 . . . . 0.0 112.632 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.52 -52.9 60.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.383 1.073 . . . . 0.0 111.883 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.58 -43.6 84.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.652 1.181 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.9 m -61.14 -44.92 96.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.208 1.003 . . . . 0.0 111.98 172.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.17 -16.54 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.401 1.481 . . . . 0.0 113.585 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 t30 . . . . . 0 CA--C 1.549 0.907 0 C-N-CA 127.596 2.358 . . . . 0.0 113.192 178.781 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.764 ' CE2' ' HB1' ' B' ' 21' ' ' ALA . 51.0 p90 . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -21.07 44.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.065 1.746 . . . . 0.0 114.884 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.7 ttt-85 -60.96 -40.15 92.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.023 0.829 . . . . 0.0 110.838 160.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -12.16 58.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.135 1.774 . . . . 0.0 114.725 170.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.42 -47.16 6.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.1 1.36 . . . . 0.0 111.539 171.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -47.89 62.32 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.477 1.511 . . . . 0.0 112.646 173.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -3.85 2.39 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 173.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.719 HD13 ' HB1' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -120.59 -42.53 2.53 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.245 1.818 . . . . 0.0 111.418 -177.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.59 -45.54 58.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.144 1.338 . . . . 0.0 111.393 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.49 62.34 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.443 -0.785 . . . . 0.0 112.575 174.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -45.6 80.0 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.325 -0.859 . . . . 0.0 111.38 168.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.1 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.045 0.938 . . . . 0.0 112.531 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 ttm -52.52 -45.1 66.14 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.88 1.218 . . . . 0.0 112.327 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -58.18 -29.42 65.62 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.704 1.602 . . . . 0.0 113.293 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.0 mt -93.36 -35.74 12.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.594 1.557 . . . . 0.0 111.432 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.523 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.4 m-85 -55.55 -48.94 73.93 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.423 0.556 . . . . 0.0 110.998 171.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -66.71 -34.28 77.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.67 -47.53 31.24 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.516 0.674 . . . . 0.0 111.746 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB1' ' CE1' ' B' ' 3' ' ' TYR . . . -58.61 -42.84 89.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.432 1.093 . . . . 0.0 111.734 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -53.09 -43.07 66.5 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.143 0.883 . . . . 0.0 113.292 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.45 63.85 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -106.01 -38.02 6.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.667 1.187 . . . . 0.0 113.637 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.31 -36.2 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.2 1.4 . . . . 0.0 111.564 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.23 7.59 72.46 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 116.427 1.331 . . . . 0.0 116.427 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -81.44 137.02 48.56 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 119.457 1.629 . . . . 0.0 112.453 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.81 -33.71 15.86 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.99 2.46 . . . . 0.0 113.17 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.23 -25.58 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.256 -0.903 . . . . 0.0 112.491 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.66 -43.08 94.76 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.537 172.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.61 89.36 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.416 -0.802 . . . . 0.0 112.334 172.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.75 -30.17 71.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.71 0.804 . . . . 0.0 113.104 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.1 mt -69.99 -40.52 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.391 0.541 . . . . 0.0 111.954 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -29.35 70.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 118.893 0.769 . . . . 0.0 112.255 173.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -40.26 78.14 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.632 -1.292 . . . . 0.0 113.571 171.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.51 -45.1 66.24 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.192 -0.942 . . . . 0.0 112.431 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -64.61 -12.3 44.08 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 0.0 112.63 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.85 -51.22 42.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.319 -1.488 . . . . 0.0 111.486 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.66 -35.48 76.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.033 0.533 . . . . 0.0 111.768 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.483 ' CE1' HG22 ' B' ' 33' ' ' ILE . 29.4 m170 -57.73 -22.52 47.04 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.174 -1.393 . . . . 0.0 114.288 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.45 -42.22 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.653 1.981 . . . . 0.0 111.146 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.69 -43.69 98.38 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.101 -1.0 . . . . 0.0 110.593 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -65.96 -32.25 73.64 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.437 0.695 . . . . 0.0 112.657 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -58.57 7.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.404 1.002 . . . . 0.0 111.617 172.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.31 -39.88 94.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.726 1.21 . . . . 0.0 111.385 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.18 -43.77 92.18 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.913 0.885 . . . . 0.0 112.431 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.15 -8.15 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 . . . . . 0 CA--C 1.552 1.033 0 C-N-CA 126.266 1.826 . . . . 0.0 113.169 172.654 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.438 ' CE1' ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.577 0.227 . . . . 0.0 111.047 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.1 -25.63 32.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.151 1.38 . . . . 0.0 113.708 167.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -48.71 55.31 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.117 0.967 . . . . 0.0 111.707 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.85 -40.27 66.36 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.29 0.95 . . . . 0.0 111.448 170.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -51.66 55.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.401 1.08 . . . . 0.0 112.697 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.87 -49.19 20.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.323 1.849 . . . . 0.0 112.663 167.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -74.44 4.24 6.27 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.57 -41.41 5.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 111.672 162.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.523 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 7.9 mm-40 -69.28 -46.34 67.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.72 -36.02 77.88 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.013 -1.055 . . . . 0.0 111.571 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -57.93 -47.41 82.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.58 1.152 . . . . 0.0 111.836 170.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.719 ' HB1' HD13 ' A' ' 10' ' ' LEU . . . -58.15 -50.95 71.73 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.293 1.037 . . . . 0.0 111.395 173.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.29 -39.37 72.57 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.816 0.846 . . . . 0.0 113.055 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -54.82 -39.61 68.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.289 1.036 . . . . 0.0 113.194 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -85.78 -43.75 13.07 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 126.694 1.997 . . . . 0.0 111.421 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.58 -48.22 66.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.458 1.103 . . . . 0.0 111.603 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -28.04 62.4 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -62.88 -49.78 73.5 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.254 0.934 . . . . 0.0 110.675 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.764 ' HB1' ' CE2' ' A' ' 3' ' ' TYR . . . -60.25 -35.89 76.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.167 0.987 . . . . 0.0 112.834 172.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -42.51 96.44 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.41 -0.806 . . . . 0.0 112.97 173.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.61 -35.48 80.3 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.468 -0.77 . . . . 0.0 112.866 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -77.61 -27.08 51.09 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t -143.82 -56.17 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 124.831 1.252 . . . . 0.0 112.273 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.68 38.5 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.5 0.96 . . . . 0.0 115.5 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 150.62 15.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 118.067 0.933 . . . . 0.0 113.056 173.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.07 -41.03 10.43 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.437 2.091 . . . . 0.0 113.111 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.95 -28.26 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.288 -0.883 . . . . 0.0 112.206 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -49.96 75.82 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.759 0.823 . . . . 0.0 110.232 169.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.29 84.4 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -64.45 -25.17 67.89 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.483 HG22 ' CE1' ' A' ' 40' ' ' HIS . 30.3 mt -76.41 -46.03 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 118.304 0.502 . . . . 0.0 112.112 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.9 mt -59.52 -27.75 66.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.892 0.877 . . . . 0.0 112.454 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.84 -38.92 79.78 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.167 1.787 . . . . 0.0 112.569 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -79.75 -47.87 14.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 111.442 171.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.62 -23.61 65.38 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.068 1.747 . . . . 0.0 114.239 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.2 -38.62 66.04 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.304 1.042 . . . . 0.0 112.586 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -79.31 -31.12 43.13 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.579 1.951 . . . . 0.0 111.427 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -43.67 -34.93 1.61 Allowed 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 126.899 2.08 . . . . 0.0 114.663 170.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.62 -38.58 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 128.353 2.661 . . . . 0.0 111.665 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.24 -45.41 91.7 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.443 -0.785 . . . . 0.0 109.744 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -65.96 -32.74 74.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.0 -52.14 67.05 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.482 1.037 . . . . 0.0 112.084 176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.24 -40.1 96.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.841 0.856 . . . . 0.0 111.61 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -58.98 -31.28 68.62 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.077 0.951 . . . . 0.0 112.851 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -9.71 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 . . . . . 0 CA--C 1.552 1.025 0 C-N-CA 125.688 1.595 . . . . 0.0 114.519 175.298 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.756 ' CG ' ' HB3' ' B' ' 21' ' ' ALA . 59.1 m-85 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -45.46 -29.7 1.19 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.217 2.207 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -67.47 -43.1 81.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.551 1.523 . . . . 0.0 113.325 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.04 -40.08 92.26 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.829 1.195 . . . . 0.0 111.565 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.803 HD21 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mt -68.74 -45.59 71.06 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.124 0.569 . . . . 0.0 111.91 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -47.79 74.64 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.533 1.06 . . . . 0.0 112.226 171.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -70.63 9.8 0.59 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.861 1.664 . . . . 0.0 114.452 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.2 mt -125.05 -46.66 1.81 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.06 1.744 . . . . 0.0 112.041 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' OE2' ' OE2' ' B' ' 37' ' ' GLU . 3.0 mm-40 -71.39 -53.98 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.623 1.569 . . . . 0.0 110.878 -177.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.38 -38.33 83.56 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.18 -0.95 . . . . 0.0 112.748 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -34.91 78.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.535 ' CB ' HD23 ' B' ' 10' ' ' LEU . . . -75.19 -34.39 61.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.249 1.02 . . . . 0.0 113.203 172.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -30.06 61.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.192 0.905 . . . . 0.0 112.307 178.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -56.4 -51.47 68.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.573 1.149 . . . . 0.0 113.25 167.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.9 mt -70.43 -42.72 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.125 1.37 . . . . 0.0 111.76 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.29 -39.48 69.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.761 1.624 . . . . 0.0 111.86 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.02 -27.27 33.16 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.226 0.921 . . . . 0.0 112.801 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -71.59 -45.74 61.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.12 0.968 . . . . 0.0 111.809 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.08 73.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.921 0.888 . . . . 0.0 112.743 170.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.652 0.781 . . . . 0.0 112.222 173.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.21 -26.31 67.33 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -81.46 -38.48 26.32 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 171.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -138.29 -60.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.004 0.922 . . . . 0.0 112.74 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.03 53.0 28.92 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-N 118.683 0.674 . . . . 0.0 114.232 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.9 153.94 5.52 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.329 1.051 . . . . 0.0 113.161 172.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.16 -37.89 13.5 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.491 2.128 . . . . 0.0 112.981 -170.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -26.67 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.784 -0.573 . . . . 0.0 112.184 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.44 89.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.267 1.027 . . . . 0.0 110.481 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.85 76.63 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.55 -38.41 90.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.921 0.888 . . . . 0.0 112.457 172.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.446 HG22 ' CE1' ' B' ' 40' ' ' HIS . 68.4 mt -66.46 -39.84 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.399 1.08 . . . . 0.0 112.796 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -45.6 63.97 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.422 1.464 . . . . 0.0 110.522 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -41.2 81.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.453 1.501 . . . . 0.0 113.252 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.36 -44.86 95.48 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.627 -0.67 . . . . 0.0 111.782 171.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' OE2' ' ND1' ' B' ' 40' ' ' HIS . 24.0 mm-40 -71.79 -19.74 61.96 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.162 -0.962 . . . . 0.0 112.847 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.28 -50.76 64.51 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.838 -1.164 . . . . 0.0 112.217 170.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -38.43 82.01 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.853 -1.155 . . . . 0.0 111.675 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -65.21 -1.93 2.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 tp -108.95 -33.42 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.705 1.602 . . . . 0.0 111.187 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.27 -54.8 15.11 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.987 -0.446 . . . . 0.0 109.907 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.538 ' CD2' HG23 ' B' ' 29' ' ' VAL . 28.9 m0 -58.13 -37.51 74.74 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.206 0.602 . . . . 0.0 112.463 176.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.29 -55.27 9.05 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.207 1.403 . . . . 0.0 112.966 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -89.01 -39.11 13.91 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 112.154 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.1 m -58.58 -19.04 34.87 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.608 1.163 . . . . 0.0 113.489 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' B' ' 27' ' ' ASP . 5.0 mt -54.19 -22.68 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.189 1.396 . . . . 0.0 113.857 168.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.553 1.094 0 C-N-CA 126.484 1.914 . . . . 0.0 113.618 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -37.16 2.53 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.86 2.064 . . . . 0.0 114.6 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -54.55 -45.11 73.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.406 1.912 . . . . 0.0 113.897 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -16.55 62.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.325 1.05 . . . . 0.0 113.49 177.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp -96.44 -44.29 7.26 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.6 1.16 . . . . 0.0 111.745 174.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.93 -50.99 62.9 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.571 1.548 . . . . 0.0 111.994 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -74.03 5.63 4.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.535 HD23 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -106.19 -46.73 3.99 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 127.355 2.262 . . . . 0.0 108.558 169.373 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -77.79 -40.33 40.99 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.006 0.821 . . . . 0.0 110.086 -166.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -34.56 77.27 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.9 0.88 . . . . 0.0 112.253 170.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -51.36 54.71 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.955 1.302 . . . . 0.0 112.068 175.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.37 89.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.728 1.211 . . . . 0.0 111.968 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -54.53 -45.74 73.45 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.715 1.143 . . . . 0.0 112.465 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -53.23 -44.99 68.53 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.909 0.777 . . . . 0.0 112.308 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.7 mt -72.45 -44.49 62.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.33 1.052 . . . . 0.0 111.387 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.803 ' CE1' HD21 ' A' ' 7' ' ' LEU . 4.1 m-85 -54.05 -41.14 67.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.834 1.654 . . . . 0.0 112.052 175.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -80.85 -28.27 36.14 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -76.41 -51.34 12.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 122.371 1.081 . . . . 0.0 111.374 -177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.756 ' HB3' ' CG ' ' A' ' 3' ' ' TYR . . . -74.43 48.12 0.33 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.313 2.245 . . . . 0.0 113.927 175.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -109.67 -50.68 2.96 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.377 -0.827 . . . . 0.0 111.791 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.14 -35.03 79.83 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -76.34 -37.17 57.7 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.44 -43.8 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.528 0.604 . . . . 0.0 112.177 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.75 43.78 97.25 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 115.374 0.91 . . . . 0.0 115.374 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.429 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -115.11 137.95 23.23 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 118.501 1.15 . . . . 0.0 112.154 -178.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.98 -32.2 11.43 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.773 2.316 . . . . 0.0 112.504 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 43' ' ' TRP . 8.9 p -64.41 -31.89 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 121.699 -0.626 . . . . 0.0 111.861 175.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -40.92 83.27 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.739 -1.226 . . . . 0.0 112.743 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.03 86.3 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.438 0.695 . . . . 0.0 112.676 172.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -61.59 -37.12 82.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.878 1.271 . . . . 0.0 112.379 174.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mt -66.13 -35.99 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.262 1.425 . . . . 0.0 111.895 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -33.65 72.74 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.429 1.468 . . . . 0.0 112.947 172.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -43.84 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.985 1.314 . . . . 0.0 112.846 173.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.92 -47.17 75.65 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.381 -0.825 . . . . 0.0 112.161 176.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.53 ' OE2' ' OE2' ' A' ' 11' ' ' GLU . 31.4 mm-40 -67.69 -10.69 54.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.742 0.817 . . . . 0.0 112.946 176.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -73.33 -53.27 11.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.13 -0.981 . . . . 0.0 112.531 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -32.96 74.44 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.892 -1.13 . . . . 0.0 112.314 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.549 ' ND1' ' OE2' ' A' ' 37' ' ' GLU . 2.3 m170 -58.48 -1.31 0.13 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 130.343 3.457 . . . . 0.0 118.097 175.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -117.22 -26.08 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 120.451 1.478 . . . . 0.0 110.935 173.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.08 -55.5 8.09 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.79 0.836 . . . . 0.0 110.208 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -59.75 -34.06 72.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.873 0.869 . . . . 0.0 112.254 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tt -51.11 -51.04 57.36 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.004 1.722 . . . . 0.0 112.789 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -75.74 -32.23 59.91 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 50.5 m -55.18 -30.51 60.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.705 0.802 . . . . 0.0 112.731 172.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mm -57.44 -18.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 35.7 t30 . . . . . 0 CA--C 1.55 0.955 0 C-N-CA 125.911 1.684 . . . . 0.0 114.091 176.565 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.401 ' HE1' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.026 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.55 -27.15 2.57 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 129.213 3.005 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.85 -44.82 82.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.681 0.673 . . . . 0.0 112.414 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -35.11 79.82 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.563 1.074 . . . . 0.0 112.151 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.65 -44.4 90.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.601 0.637 . . . . 0.0 112.033 172.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -52.62 -51.39 60.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.995 0.918 . . . . 0.0 111.867 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -67.6 1.2 2.54 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.51 -40.31 4.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.539 1.536 . . . . 0.0 111.753 168.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.55 -44.4 67.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.322 1.049 . . . . 0.0 112.117 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -31.19 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.162 -0.961 . . . . 0.0 112.3 173.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.13 -45.53 91.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.757 0.823 . . . . 0.0 111.561 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.71 94.44 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -40.54 72.79 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.054 -1.029 . . . . 0.0 113.671 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.47 -43.74 89.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.474 0.71 . . . . 0.0 112.547 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.21 -38.85 78.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.962 0.905 . . . . 0.0 111.527 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.557 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 20.0 m-85 -61.49 -38.26 86.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -76.29 -29.44 57.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.061 1.3 . . . . 0.0 113.057 174.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -65.53 -48.56 72.05 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.13 0.967 . . . . 0.0 111.125 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.76 -30.89 71.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.126 0.97 . . . . 0.0 113.1 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -64.88 -46.48 81.61 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.94 -1.1 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.39 -37.82 78.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.267 1.027 . . . . 0.0 112.179 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.457 HH11 ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -88.43 -29.18 20.39 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -175.741 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.48 -50.16 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.478 1.111 . . . . 0.0 112.254 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.47 35.08 91.23 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 115.257 0.863 . . . . 0.0 115.257 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.603 ' HB3' HD13 ' B' ' 47' ' ' ILE . 12.1 t70 -54.98 140.73 60.99 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.027 0.931 . . . . 0.0 111.559 174.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.34 -35.69 96.16 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.381 2.054 . . . . 0.0 115.086 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 1.036 ' CG2' ' CD2' ' B' ' 43' ' ' TRP . 2.5 p -71.9 -27.42 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 120.678 1.581 . . . . 0.0 112.069 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.33 -44.08 95.94 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.589 1.156 . . . . 0.0 111.331 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.12 89.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.467 0.707 . . . . 0.0 112.772 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.77 -35.45 80.65 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.442 -0.786 . . . . 0.0 112.833 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.72 HG12 ' CD2' ' B' ' 40' ' ' HIS . 37.2 mt -64.92 -53.74 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 117.911 0.323 . . . . 0.0 111.2 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.32 -20.99 66.25 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.8 -41.67 91.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.012 1.325 . . . . 0.0 112.733 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -71.25 -43.07 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.688 0.795 . . . . 0.0 111.352 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.63 -18.06 65.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.761 1.224 . . . . 0.0 113.87 -171.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.03 -46.77 32.75 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.064 -1.023 . . . . 0.0 113.515 168.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.1 -36.57 77.72 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.61 -1.306 . . . . 0.0 110.939 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.648 ' CE1' HG22 ' B' ' 33' ' ' ILE . 2.0 m-70 -54.69 -6.59 0.12 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.868 2.867 . . . . 0.0 117.236 167.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 tp -114.33 -35.45 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 120.587 1.54 . . . . 0.0 110.234 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -52.13 59.39 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.502 0.592 . . . . 0.0 110.999 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -61.02 -43.29 99.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.355 0.662 . . . . 0.0 111.594 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.3 -35.28 80.33 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.56 1.144 . . . . 0.0 112.84 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.38 -48.63 22.09 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.427 1.012 . . . . 0.0 111.871 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.8 m -54.13 -36.52 63.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.449 1.022 . . . . 0.0 112.138 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.252 13.4 mm -70.57 -3.16 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 . . . . . 0 CA--C 1.546 0.792 0 O-C-N 120.351 -1.468 . . . . 0.0 114.703 165.726 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.2 p90 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -48.98 -26.77 2.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.33 2.252 . . . . 0.0 115.616 165.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.3 -47.34 50.68 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 121.649 2.022 . . . . 0.0 111.908 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -61.32 -40.6 94.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.036 0.835 . . . . 0.0 111.47 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.06 -53.73 54.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.419 0.688 . . . . 0.0 112.353 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.67 -50.23 60.79 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.992 0.814 . . . . 0.0 112.345 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -68.86 6.93 0.76 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 65.5 mt -115.57 -43.56 3.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.21 1.404 . . . . 0.0 111.835 164.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.557 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 6.1 mm-40 -67.83 -48.74 65.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.159 1.384 . . . . 0.0 111.922 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.99 -30.51 66.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 112.719 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -64.03 -41.67 97.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.577 0.751 . . . . 0.0 111.944 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.75 84.57 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.504 0.722 . . . . 0.0 112.004 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -54.87 -46.11 74.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.844 0.858 . . . . 0.0 113.295 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -54.24 -38.06 65.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.482 1.113 . . . . 0.0 112.914 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.15 -37.45 28.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.854 1.262 . . . . 0.0 111.424 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.39 -34.73 71.06 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.78 -26.84 44.51 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -75.03 -52.85 10.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.003 0.82 . . . . 0.0 112.526 -170.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.67 -1.61 25.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -57.49 -56.23 24.58 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.15 -32.04 72.6 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.406 0.683 . . . . 0.0 112.082 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -74.55 -34.93 63.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.882 1.273 . . . . 0.0 113.005 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.401 HG21 ' HE1' ' A' ' 3' ' ' TYR . 95.2 t -80.63 -52.27 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.785 0.834 . . . . 0.0 111.78 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.87 47.63 65.46 Favored Glycine 0 CA--C 1.541 1.665 0 N-CA-C 115.464 0.945 . . . . 0.0 115.464 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -130.05 150.18 75.26 Favored Pre-proline 0 N--CA 1.479 1.015 0 CA-C-N 118.711 1.256 . . . . 0.0 112.587 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.42 -34.52 3.43 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.825 2.35 . . . . 0.0 114.381 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -68.07 -24.94 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.9 1.227 . . . . 0.0 112.47 -178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.58 -45.26 83.95 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.808 1.243 . . . . 0.0 111.686 171.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.9 89.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.686 0.795 . . . . 0.0 112.61 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -64.12 -34.73 78.72 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.351 -0.843 . . . . 0.0 112.428 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.648 HG22 ' CE1' ' A' ' 40' ' ' HIS . 16.1 mt -67.72 -45.13 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.432 0.693 . . . . 0.0 112.778 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.84 -26.55 66.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.014 0.825 . . . . 0.0 112.916 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.9 -32.02 70.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.351 1.461 . . . . 0.0 113.323 172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -71.19 -41.86 69.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.37 1.068 . . . . 0.0 112.788 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.24 -23.32 66.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.219 -0.925 . . . . 0.0 112.536 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.9 -42.52 94.03 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.169 -0.957 . . . . 0.0 112.326 174.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.04 -46.67 77.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.71 0.404 . . . . 0.0 110.49 171.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.72 ' CD2' HG12 ' A' ' 33' ' ' ILE . 35.7 m170 -56.67 -44.19 81.15 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.525 -1.226 . . . . 0.0 113.63 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.2 -32.08 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.733 2.413 . . . . 0.0 111.636 -173.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.73 -46.77 71.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.346 -0.846 . . . . 0.0 110.45 168.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 1.036 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 44.3 m0 -63.97 -29.64 70.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.678 0.791 . . . . 0.0 112.775 171.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.88 -55.94 28.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.642 1.177 . . . . 0.0 112.443 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.58 -32.94 74.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.56 -0.713 . . . . 0.0 112.519 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -57.76 -28.97 64.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 170.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.603 HD13 ' HB3' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -67.54 -6.41 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 125.218 1.407 . . . . 0.0 114.476 173.5 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.677 ' CZ ' HG13 ' B' ' 25' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -26.82 68.9 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.868 1.267 . . . . 0.0 113.107 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -73.75 -42.94 60.41 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.631 -1.293 . . . . 0.0 111.748 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.32 -41.08 88.24 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.279 165.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' B' ' 18' ' ' TYR . 76.3 mt -56.68 -51.62 68.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.007 1.276 . . . . 0.0 111.686 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.6 -51.76 52.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.635 0.731 . . . . 0.0 112.33 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.99 2.58 3.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.801 1.64 . . . . 0.0 115.303 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' B' ' 17' ' ' LEU . 75.8 mt -113.4 -40.78 3.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.196 1.798 . . . . 0.0 111.395 169.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.31 -44.18 72.24 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.27 1.028 . . . . 0.0 111.229 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -69.69 -34.72 74.33 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.184 -0.948 . . . . 0.0 112.989 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -44.22 97.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.713 0.805 . . . . 0.0 111.554 173.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.38 83.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.369 0.668 . . . . 0.0 111.592 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ttm -53.32 -39.09 63.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.281 1.032 . . . . 0.0 113.48 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -62.94 -39.13 93.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD11 HD12 ' B' ' 10' ' ' LEU . 64.0 mt -71.17 -41.16 70.72 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.1 0.96 . . . . 0.0 110.796 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.41 -7.71 27.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.254 1.422 . . . . 0.0 114.412 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -105.84 -7.18 18.42 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 167.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -119.14 -49.31 2.4 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.067 0.849 . . . . 0.0 112.416 -169.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -34.39 71.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.235 1.014 . . . . 0.0 111.966 169.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -58.45 -39.86 81.01 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.119 2.168 . . . . 0.0 114.083 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -71.43 -30.77 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.635 -0.666 . . . . 0.0 112.522 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.846 ' HB3' ' HE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -78.79 -29.14 44.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.581 1.153 . . . . 0.0 113.721 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.85 -35.26 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.89 1.276 . . . . 0.0 112.59 -170.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.09 8.0 72.86 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 116.521 1.368 . . . . 0.0 116.521 173.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.632 ' CB ' HD13 ' B' ' 47' ' ' ILE . 0.3 OUTLIER -64.43 134.85 96.12 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 119.381 1.591 . . . . 0.0 112.29 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.29 -38.08 5.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.173 1.915 . . . . 0.0 113.131 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 p -68.13 -30.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.399 1.0 . . . . 0.0 112.258 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -68.08 -46.65 70.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.965 1.306 . . . . 0.0 110.931 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.66 86.61 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.17 -41.27 90.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.922 1.289 . . . . 0.0 113.788 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.711 HG22 ' CE1' ' B' ' 40' ' ' HIS . 9.0 mt -58.85 -37.09 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -171.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.59 -21.64 64.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -171.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.77 -35.51 80.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.786 1.634 . . . . 0.0 112.787 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -66.93 -45.04 79.11 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.676 -0.64 . . . . 0.0 110.777 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' OE2' ' ND1' ' B' ' 40' ' ' HIS . 31.0 mm-40 -62.79 -31.94 73.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.369 -0.832 . . . . 0.0 112.336 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.12 -45.18 95.75 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.371 1.068 . . . . 0.0 111.657 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.414 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -61.9 -47.83 83.21 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.756 0.822 . . . . 0.0 111.582 171.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.643 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 43.4 m170 -55.45 -44.15 76.11 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.554 1.142 . . . . 0.0 113.545 -175.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.6 tt -85.1 -27.55 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 126.119 1.768 . . . . 0.0 111.974 -172.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.54 -46.85 86.51 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 110.46 164.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -63.99 -36.94 85.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.006 0.523 . . . . 0.0 112.253 170.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.9 -50.56 73.57 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.984 0.811 . . . . 0.0 112.409 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -55.28 -45.7 76.16 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.988 0.915 . . . . 0.0 112.232 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.1 m -60.91 -42.92 99.03 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.705 0.802 . . . . 0.0 112.251 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.938 HD13 ' CG1' ' B' ' 29' ' ' VAL . 14.7 mt -61.61 -31.31 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.19 1.396 . . . . 0.0 114.366 174.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 126.071 1.748 . . . . 0.0 113.255 -178.521 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.846 ' HE2' ' HB3' ' A' ' 24' ' ' ARG . 1.8 m-30 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -20.43 61.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -173.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -68.58 -42.23 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.932 0.787 . . . . 0.0 110.188 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.55 -34.47 75.62 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.877 0.762 . . . . 0.0 112.569 172.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.79 -52.84 47.44 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.804 1.184 . . . . 0.0 111.902 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.79 -49.61 65.25 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.881 0.764 . . . . 0.0 112.846 176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -71.21 6.38 1.71 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.775 1.63 . . . . 0.0 114.99 177.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 17' ' ' LEU . 87.4 mt -116.0 -40.62 3.28 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.588 1.155 . . . . 0.0 112.271 163.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.08 -46.46 42.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.919 0.888 . . . . 0.0 112.636 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.47 -29.48 62.55 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.002 -1.061 . . . . 0.0 112.028 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -41.95 86.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.402 -0.811 . . . . 0.0 111.816 170.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.5 76.76 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.7 -38.84 64.65 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.834 -1.167 . . . . 0.0 113.754 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.96 -38.68 73.31 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 10' ' ' LEU . 60.8 mt -78.29 -41.92 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 110.569 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . 0.78 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 21.4 m-85 -62.8 -30.32 71.38 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.501 1.121 . . . . 0.0 113.119 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.92 -27.77 28.33 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -88.26 -61.41 1.72 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.974 0.892 . . . . 0.0 111.705 -174.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 62.11 2.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.622 1.969 . . . . 0.0 111.297 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -133.63 -46.29 0.81 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.597 1.559 . . . . 0.0 111.175 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.9 -38.09 81.29 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -82.67 -36.31 26.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 174.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 0.677 HG13 ' CZ ' ' A' ' 3' ' ' TYR . 55.5 t -75.85 -45.09 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.929 0.892 . . . . 0.0 112.341 -173.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.43 -5.74 14.27 Favored Glycine 0 CA--C 1.541 1.699 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 168.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -66.25 138.98 96.18 Favored Pre-proline 0 CA--C 1.551 0.992 0 CA-C-N 120.111 1.956 . . . . 0.0 113.063 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.8 -29.92 9.95 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.196 2.597 . . . . 0.0 113.893 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.938 ' CG1' HD13 ' A' ' 47' ' ' ILE . 8.6 p -69.26 -23.31 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.129 -0.982 . . . . 0.0 112.964 178.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.41 -39.21 72.65 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.962 1.305 . . . . 0.0 111.743 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.83 92.64 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.797 -0.564 . . . . 0.0 112.465 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.56 -42.09 92.21 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.345 -0.847 . . . . 0.0 112.13 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.87 -57.06 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.418 1.087 . . . . 0.0 110.797 171.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.41 -28.29 68.51 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.65 -37.42 86.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.869 1.267 . . . . 0.0 112.474 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . 0.643 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 89.8 m-20 -69.96 -44.48 69.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.553 -0.717 . . . . 0.0 111.667 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.11 -20.71 66.16 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.49 -52.85 34.29 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.766 1.166 . . . . 0.0 111.914 168.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -56.23 -40.59 74.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.341 -0.85 . . . . 0.0 111.471 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.711 ' CE1' HG22 ' A' ' 33' ' ' ILE . 30.1 m170 -59.76 -20.78 58.76 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.82 -32.16 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.343 1.457 . . . . 0.0 110.676 -176.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.99 -45.87 80.06 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.62 -0.675 . . . . 0.0 110.574 168.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . 0.468 ' HE3' HD11 ' A' ' 33' ' ' ILE . 37.6 m0 -62.24 -31.82 72.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.628 0.771 . . . . 0.0 112.447 170.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.19 -55.57 30.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.942 0.897 . . . . 0.0 112.475 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.15 -42.57 95.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.755 0.822 . . . . 0.0 111.121 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.9 m -58.63 -29.92 66.88 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.546 1.138 . . . . 0.0 113.081 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . 0.632 HD13 ' CB ' ' A' ' 27' ' ' ASP . 1.2 tp -64.25 -11.82 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 CA--C 1.548 0.893 0 C-N-CA 126.064 1.746 . . . . 0.0 113.934 -175.51 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 1.444 ' HH ' ' CB ' ' B' ' 24' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.61 -21.26 14.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -61.12 -37.84 84.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.344 1.429 . . . . 0.0 112.118 172.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.29 -27.15 68.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.55 1.54 . . . . 0.0 113.615 172.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.8 mt -81.12 -45.97 15.64 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.689 0.796 . . . . 0.0 111.047 174.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.71 -50.11 66.61 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.72 1.208 . . . . 0.0 112.191 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -76.68 11.25 1.75 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.942 HD12 ' HB1' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -103.23 -47.07 4.43 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.445 1.898 . . . . 0.0 108.999 161.478 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.73 -40.28 49.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.623 0.647 . . . . 0.0 110.65 -165.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.15 -39.25 86.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 112.198 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.97 -45.04 83.14 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.194 0.998 . . . . 0.0 113.0 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.44 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.514 0.726 . . . . 0.0 110.971 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.9 tpp -55.41 -47.74 75.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.352 1.061 . . . . 0.0 113.14 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.92 -37.35 14.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.815 1.246 . . . . 0.0 113.634 173.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -91.19 -48.29 7.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 111.167 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.991 ' CE1' HD21 ' B' ' 7' ' ' LEU . 10.0 m-85 -56.69 -42.45 79.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.325 1.05 . . . . 0.0 111.222 177.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -35.91 81.34 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.716 -0.615 . . . . 0.0 111.537 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 1.18 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 4.7 tp10 -69.69 -47.85 61.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.194 0.452 . . . . 0.0 110.38 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 1.563 ' HB1' ' CE2' ' B' ' 3' ' ' TYR . . . -59.52 -36.91 77.03 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.667 0.787 . . . . 0.0 112.386 175.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -59.12 -47.8 83.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.752 -1.217 . . . . 0.0 111.58 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.05 -1.41 12.1 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -21.43 7.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.052 1.741 . . . . 0.0 113.92 177.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -132.14 -31.03 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.022 1.329 . . . . 0.0 112.868 -170.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.6 16.7 77.72 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.745 1.458 . . . . 0.0 116.745 170.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.19 131.44 93.55 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 119.408 1.604 . . . . 0.0 112.517 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.09 -31.78 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.591 2.194 . . . . 0.0 113.121 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.74 -30.13 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.318 -0.864 . . . . 0.0 112.087 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -44.52 80.99 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.794 171.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.58 80.77 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.271 -0.893 . . . . 0.0 112.89 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -62.37 -40.09 95.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.216 1.006 . . . . 0.0 112.524 172.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.93 -40.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.381 1.072 . . . . 0.0 111.97 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.99 -40.63 94.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.113 0.869 . . . . 0.0 113.331 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.07 -36.56 79.96 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.19 1.396 . . . . 0.0 112.257 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.69 -53.13 24.08 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.725 0.81 . . . . 0.0 112.361 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.75 -27.5 68.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.098 0.863 . . . . 0.0 112.733 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.26 -51.15 67.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.671 1.188 . . . . 0.0 112.124 174.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.76 -41.05 83.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.441 1.896 . . . . 0.0 113.578 173.17 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.1 -35.08 70.92 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.557 1.143 . . . . 0.0 114.08 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 tt -82.46 -21.62 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 127.045 2.138 . . . . 0.0 111.442 -173.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.98 -49.54 44.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.514 -0.741 . . . . 0.0 109.828 163.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -58.29 -33.22 69.22 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.6 -55.77 29.79 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.603 1.161 . . . . 0.0 113.096 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.57 -40.13 96.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.886 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -56.74 -22.43 35.44 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.604 1.161 . . . . 0.0 113.596 173.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.565 HD12 HG12 ' B' ' 29' ' ' VAL . 1.1 tp -68.32 -4.17 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 173.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.551 0.996 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 173.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 1.563 ' CE2' ' HB1' ' A' ' 21' ' ' ALA . 12.6 t80 . . . . . 0 N--CA 1.469 0.525 0 CA-C-O 121.59 0.709 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.97 -22.65 64.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.065 1.746 . . . . 0.0 114.305 172.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -64.55 -41.97 95.98 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.791 -1.193 . . . . 0.0 112.335 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.47 -35.58 80.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.004 0.82 . . . . 0.0 112.012 172.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . 0.991 HD21 ' CE1' ' A' ' 18' ' ' TYR . 73.7 mt -61.64 -51.2 69.44 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.342 0.657 . . . . 0.0 111.749 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.51 -52.49 54.3 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.078 0.854 . . . . 0.0 112.957 172.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -68.08 4.43 1.23 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.1 mt -107.71 -54.43 2.49 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.102 1.361 . . . . 0.0 111.483 161.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.789 ' CD ' ' HH ' ' A' ' 18' ' ' TYR . 4.4 mm-40 -66.92 -34.45 77.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.534 1.133 . . . . 0.0 112.233 -170.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.35 -34.72 31.61 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.958 -1.089 . . . . 0.0 113.463 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -55.08 -45.25 75.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.714 0.806 . . . . 0.0 110.313 167.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . 0.942 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -61.99 -48.49 80.12 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.234 1.014 . . . . 0.0 112.766 170.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 40.1 tpp -55.09 -41.03 71.08 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.886 1.221 . . . . 0.0 113.303 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.94 -34.11 76.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -81.61 -31.11 32.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 125.188 1.395 . . . . 0.0 112.216 176.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -65.95 -40.22 91.12 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 117.432 -1.27 . . . . 0.0 111.098 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.04 -22.62 64.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.905 1.684 . . . . 0.0 114.676 166.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.12 -63.82 1.33 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.441 1.096 . . . . 0.0 113.138 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -23.08 67.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -52.93 -42.72 65.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 112.737 170.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.19 -8.09 28.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.419 1.487 . . . . 0.0 114.451 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . 1.444 ' CB ' ' HH ' ' A' ' 3' ' ' TYR . 2.2 mmm180 -125.35 -18.14 5.42 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.835 1.654 . . . . 0.0 114.255 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . 1.097 HG22 ' CE2' ' A' ' 3' ' ' TYR . 67.2 t -110.22 -39.88 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.169 1.388 . . . . 0.0 112.071 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.14 2.46 18.78 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.628 1.811 . . . . 0.0 117.628 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . 0.413 ' HB3' HD13 ' A' ' 47' ' ' ILE . 5.2 m-20 -66.4 143.69 98.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 CA-C-N 119.886 1.843 . . . . 0.0 112.86 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.08 -34.03 10.88 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.578 2.185 . . . . 0.0 113.274 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 47' ' ' ILE . 9.1 p -71.69 -26.26 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.181 -0.949 . . . . 0.0 112.844 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.75 -46.8 74.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.687 1.195 . . . . 0.0 110.542 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.83 77.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.569 0.748 . . . . 0.0 112.945 171.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -68.68 -28.4 66.83 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.075 -1.016 . . . . 0.0 113.499 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 61.6 mt -67.3 -55.74 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.459 173.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.4 -14.37 18.54 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.138 1.79 . . . . 0.0 114.986 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -75.89 -40.7 53.93 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.197 1.399 . . . . 0.0 113.603 167.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -76.96 -46.21 24.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.353 1.461 . . . . 0.0 112.01 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.02 -6.11 15.71 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 128.857 2.863 . . . . 0.0 112.347 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.27 -54.08 29.19 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.488 1.515 . . . . 0.0 111.673 164.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.22 -29.96 70.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.841 0.856 . . . . 0.0 111.783 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.16 -2.36 0.43 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.841 2.456 . . . . 0.0 116.299 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tp -116.52 -30.54 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 120.268 1.395 . . . . 0.0 112.045 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -73.74 -45.54 51.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 174.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.95 -27.77 69.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.772 0.829 . . . . 0.0 112.334 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -56.05 20.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.05 1.34 . . . . 0.0 111.902 172.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.56 -34.7 69.46 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.402 1.081 . . . . 0.0 112.068 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.8 m -65.42 -30.46 71.27 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 173.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.98 -4.78 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 126.13 1.772 . . . . 0.0 115.306 174.722 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -23.97 2.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.431 2.292 . . . . 0.0 114.431 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -84.2 -36.24 22.93 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 -166.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.309 0.644 . . . . 0.0 111.532 160.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.74 -51.8 66.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.367 0.985 . . . . 0.0 111.542 177.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -55.43 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.46 1.504 . . . . 0.0 113.375 166.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.84 -1.42 5.48 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.22 -40.6 5.13 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.624 1.57 . . . . 0.0 111.796 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.29 -42.49 62.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.426 1.09 . . . . 0.0 112.087 -175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.92 -36.34 80.0 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.372 -0.83 . . . . 0.0 111.874 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -44.31 97.28 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.71 -0.619 . . . . 0.0 111.964 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.514 0.726 . . . . 0.0 112.189 171.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -57.4 -45.19 84.79 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.258 -0.901 . . . . 0.0 113.216 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -51.49 -43.48 62.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.697 0.799 . . . . 0.0 112.398 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.93 -40.25 47.83 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.579 1.151 . . . . 0.0 112.086 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.76 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.648 -0.692 . . . . 0.0 111.072 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -67.25 -31.07 71.17 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.813 1.188 . . . . 0.0 113.642 174.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 1.2 tp10 -70.11 -48.29 58.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.131 0.878 . . . . 0.0 111.284 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.673 ' HB1' ' CE2' ' B' ' 3' ' ' TYR . . . -68.04 -26.14 65.72 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 t -63.77 -44.94 91.92 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.079 -1.013 . . . . 0.0 112.271 167.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.59 -38.45 91.15 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.616 -0.678 . . . . 0.0 112.023 172.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -66.81 -40.18 87.97 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.456 1.102 . . . . 0.0 113.592 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.3 t -140.74 -55.82 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.514 1.125 . . . . 0.0 111.929 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.58 -67.04 0.52 Allowed Glycine 0 N--CA 1.468 0.824 0 C-N-CA 125.199 1.381 . . . . 0.0 111.8 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 47.44 131.37 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 129.598 3.159 . . . . 0.0 116.436 -168.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.43 -40.31 4.39 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.717 1.611 . . . . 0.0 114.681 -163.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 p -77.91 -25.2 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.676 -0.64 . . . . 0.0 112.143 174.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.68 -44.08 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.679 1.192 . . . . 0.0 111.219 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.63 65.46 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.81 -31.54 40.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.942 1.297 . . . . 0.0 113.139 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.513 HG12 ' CD2' ' B' ' 40' ' ' HIS . 49.0 mt -63.29 -37.1 78.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 121.391 -0.818 . . . . 0.0 111.693 174.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.82 -42.1 71.45 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.273 0.942 . . . . 0.0 112.548 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.82 -40.29 91.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.134 1.374 . . . . 0.0 112.309 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -66.95 -47.11 72.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.577 0.751 . . . . 0.0 112.68 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 40.5 mm-40 -67.11 -18.69 65.43 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.282 -0.886 . . . . 0.0 112.747 176.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.53 -49.9 73.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.553 1.524 . . . . 0.0 111.696 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -57.59 -38.21 74.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.592 0.757 . . . . 0.0 111.396 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CE1' HG22 ' B' ' 33' ' ' ILE . 28.6 m170 -63.23 -21.0 65.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -90.9 -40.49 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.758 1.623 . . . . 0.0 110.047 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -59.45 -45.83 90.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.614 0.766 . . . . 0.0 111.015 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.478 ' HE3' HD13 ' B' ' 33' ' ' ILE . 43.4 m0 -62.69 -34.46 77.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.455 0.702 . . . . 0.0 112.415 170.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -49.93 71.93 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.235 1.379 . . . . 0.0 114.494 -176.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.77 -40.14 79.07 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.448 1.099 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.9 m -63.58 -1.98 1.47 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 127.032 2.133 . . . . 0.0 114.406 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mm -106.91 -4.94 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.604 1.561 . . . . 0.0 112.6 -175.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 124.569 1.147 . . . . 0.0 114.063 173.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' TYR . . . . . 0.673 ' CE2' ' HB1' ' A' ' 21' ' ' ALA . 55.6 t80 . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.78 0.324 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -21.66 62.07 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.385 1.874 . . . . 0.0 113.597 -175.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.18 -39.17 81.7 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 126.902 2.081 . . . . 0.0 113.315 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.64 -41.01 84.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.788 0.722 . . . . 0.0 111.348 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.09 -41.18 99.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.765 0.712 . . . . 0.0 112.415 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -56.01 -54.15 48.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.457 0.703 . . . . 0.0 111.103 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -72.72 15.25 0.2 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.315 1.846 . . . . 0.0 114.75 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -119.94 -40.99 2.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.379 1.871 . . . . 0.0 110.812 165.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . 0.472 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 4.0 mm-40 -76.43 -43.82 38.54 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.383 1.073 . . . . 0.0 111.799 -178.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -71.22 -33.97 70.39 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.196 -0.94 . . . . 0.0 112.348 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.36 -46.56 89.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.452 0.701 . . . . 0.0 111.38 170.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.32 93.68 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.438 0.695 . . . . 0.0 112.203 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.86 -45.8 64.21 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.147 1.34 . . . . 0.0 112.757 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -56.24 -28.71 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.423 1.489 . . . . 0.0 113.55 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -100.27 -33.35 10.45 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 126.45 1.9 . . . . 0.0 112.1 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.02 -43.65 95.11 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.088 0.955 . . . . 0.0 110.247 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 172.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -67.86 -46.76 70.8 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.278 1.031 . . . . 0.0 111.778 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.98 84.73 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.716 1.206 . . . . 0.0 111.383 171.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -56.2 -43.32 78.39 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.168 -0.957 . . . . 0.0 112.347 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.35 2.91 0.75 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.415 1.886 . . . . 0.0 114.993 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.79 -39.61 1.1 Allowed 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.66 -1.275 . . . . 0.0 113.387 172.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.53 -36.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.0 1.32 . . . . 0.0 111.898 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.67 4.23 57.2 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 134.85 96.02 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.38 1.59 . . . . 0.0 112.04 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.61 -36.98 17.8 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.406 2.071 . . . . 0.0 112.454 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.95 -30.63 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.371 -0.831 . . . . 0.0 112.507 175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -39.31 86.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.279 1.031 . . . . 0.0 111.323 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.77 79.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.15 -33.68 76.34 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.168 -0.958 . . . . 0.0 113.358 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.613 HG22 ' CE1' ' A' ' 40' ' ' HIS . 57.4 mt -57.35 -32.52 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 118.378 0.535 . . . . 0.0 111.832 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.63 -34.75 71.52 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.821 -1.174 . . . . 0.0 114.064 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -44.17 85.69 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.419 1.008 . . . . 0.0 111.989 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.13 -51.8 59.09 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.732 -0.605 . . . . 0.0 111.159 176.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . 0.557 ' OE2' ' ND1' ' A' ' 40' ' ' HIS . 30.5 mm-40 -67.83 -17.9 64.66 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.77 -54.87 11.64 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.258 1.023 . . . . 0.0 111.569 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.6 -37.47 75.91 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.821 -0.549 . . . . 0.0 111.487 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' HIS . . . . . 0.513 ' CD2' HG12 ' A' ' 33' ' ' ILE . 23.5 m170 -62.32 -3.62 1.44 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -114.28 -34.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 120.874 1.67 . . . . 0.0 110.947 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.48 -51.21 61.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.496 0.589 . . . . 0.0 110.689 165.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -66.75 -34.79 78.62 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.37 -34.12 76.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.964 1.306 . . . . 0.0 113.183 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.22 -37.17 23.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.381 0.992 . . . . 0.0 112.385 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -57.63 -36.3 71.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.14 0.976 . . . . 0.0 112.363 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 tp -73.53 -4.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 125.754 1.622 . . . . 0.0 113.912 176.058 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 mtt . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -71.12 72.77 0.62 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.216 1.807 . . . . 0.0 112.708 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.4 -56.48 1.15 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.749 1.22 . . . . 0.0 111.416 -173.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -78.64 -21.22 48.71 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.336 1.854 . . . . 0.0 114.218 -171.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.47 -36.7 74.12 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.305 1.042 . . . . 0.0 112.975 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.43 -27.15 66.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 113.363 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -80.5 -44.54 18.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.85 0.86 . . . . 0.0 111.629 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.07 -50.91 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.743 1.617 . . . . 0.0 111.379 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -71.87 4.79 3.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.54 -41.48 4.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.631 1.173 . . . . 0.0 111.824 164.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.18 -46.76 76.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.327 0.967 . . . . 0.0 111.556 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.19 -29.51 64.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.113 -0.992 . . . . 0.0 112.838 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -42.06 86.54 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.255 -0.903 . . . . 0.0 111.963 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.93 96.98 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 122.971 0.508 . . . . 0.0 111.251 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ttm -54.19 -44.99 72.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.638 0.775 . . . . 0.0 112.613 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -49.67 -33.59 16.15 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.416 2.287 . . . . 0.0 113.577 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.43 -39.62 9.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 126.703 2.001 . . . . 0.0 111.51 -175.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.49 -33.2 71.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.67 0.788 . . . . 0.0 112.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -20.61 48.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.751 1.22 . . . . 0.0 113.992 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -87.55 -51.47 5.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 110.858 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -23.04 67.05 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.075 1.35 . . . . 0.0 114.599 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -55.41 -49.81 71.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.46 -32.51 74.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -43.51 55.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.752 1.221 . . . . 0.0 111.716 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.3 -38.73 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.643 0.777 . . . . 0.0 111.903 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.95 21.37 71.31 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.722 1.153 . . . . 0.0 115.864 172.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 135.23 20.73 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.074 1.437 . . . . 0.0 112.237 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.8 -30.01 18.1 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.94 2.427 . . . . 0.0 112.989 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.41 -30.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.409 -0.807 . . . . 0.0 112.197 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.46 -42.76 99.27 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.465 1.106 . . . . 0.0 111.473 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.23 77.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -64.63 -34.02 77.3 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.099 -1.001 . . . . 0.0 112.451 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.76 -47.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 O-C-N 121.651 -0.656 . . . . 0.0 112.542 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.01 -26.97 68.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.799 0.727 . . . . 0.0 112.894 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -44.46 84.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.144 171.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.19 -36.66 77.54 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.996 0.918 . . . . 0.0 112.463 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -67.55 -12.01 59.37 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.22 -41.46 81.24 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.201 1.819 . . . . 0.0 112.617 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.99 -37.57 74.51 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 121.663 -0.648 . . . . 0.0 111.177 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -71.68 1.05 7.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.115 1.766 . . . . 0.0 115.385 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.9 mm -115.31 -39.25 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 125.988 1.715 . . . . 0.0 109.038 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.47 -57.35 13.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.95 0.796 . . . . 0.0 111.744 170.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -64.11 -39.25 93.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.572 0.749 . . . . 0.0 111.722 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.7 tp -66.21 -29.88 70.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.386 1.474 . . . . 0.0 112.759 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -73.72 -51.85 15.18 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.1 0.863 . . . . 0.0 111.846 167.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.5 m -57.36 -43.09 83.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.632 0.773 . . . . 0.0 112.713 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.07 -9.23 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 C-N-CA 123.835 0.854 . . . . 0.0 113.064 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -87.13 -8.51 56.91 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.268 1.427 . . . . 0.0 114.229 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 C-N-CA 125.534 1.54 . . . . 0.0 113.363 177.313 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 ttp . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.57 -7.06 0.4 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -54.27 -68.77 0.15 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.674 1.19 . . . . 0.0 112.022 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.26 -27.63 69.15 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 124.952 1.301 . . . . 0.0 113.772 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -66.63 -42.45 86.74 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.043 1.292 . . . . 0.0 111.822 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.13 -35.55 81.14 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.964 1.256 . . . . 0.0 112.443 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.67 -51.91 55.73 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.022 0.828 . . . . 0.0 111.597 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.11 -50.07 65.2 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.46 1.104 . . . . 0.0 111.627 174.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.82 2.54 5.29 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.8 mt -114.15 -39.55 3.88 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.452 1.101 . . . . 0.0 112.738 164.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.81 -43.92 64.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.428 1.013 . . . . 0.0 111.738 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.74 -35.25 78.39 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.124 0.874 . . . . 0.0 112.417 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -44.77 95.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.765 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.71 80.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.237 0.615 . . . . 0.0 111.993 172.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.5 tpp -53.96 -46.15 71.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.051 1.34 . . . . 0.0 113.058 176.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -51.91 -42.97 63.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.624 0.647 . . . . 0.0 112.618 174.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.84 -42.0 41.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.79 -43.78 90.55 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.371 0.419 . . . . 0.0 112.103 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.97 -32.72 72.5 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.15 -54.04 12.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.83 0.824 . . . . 0.0 112.214 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.18 66.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -171.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.9 t -52.08 -48.88 64.48 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -171.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.96 -10.94 54.71 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -116.76 -28.48 6.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.059 1.344 . . . . 0.0 112.977 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -77.6 -40.58 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.657 1.183 . . . . 0.0 111.166 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.57 35.95 75.67 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 115.621 1.009 . . . . 0.0 115.621 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -121.61 142.47 35.85 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.627 1.213 . . . . 0.0 112.042 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.76 -27.54 14.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.835 2.357 . . . . 0.0 114.023 -173.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.275 2.8 p -69.52 -21.21 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.624 1.102 . . . . 0.0 112.932 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.8 -41.99 96.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.51 -1.369 . . . . 0.0 112.529 167.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.22 89.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.674 0.67 . . . . 0.0 111.9 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.39 -38.15 79.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.166 0.987 . . . . 0.0 112.91 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -63.35 -32.73 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.72 0.808 . . . . 0.0 112.72 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.55 -41.04 96.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.403 1.001 . . . . 0.0 111.81 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.36 -38.7 91.95 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.7 1.2 . . . . 0.0 112.552 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.32 -50.34 70.41 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.809 -0.557 . . . . 0.0 112.095 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.6 -24.54 64.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.86 -43.38 90.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.411 1.46 . . . . 0.0 112.406 171.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -62.19 -37.94 87.2 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.453 -0.779 . . . . 0.0 111.282 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -69.41 -6.89 33.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -103.21 -37.49 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.912 1.685 . . . . 0.0 109.282 171.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.16 -47.41 79.98 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.12 -0.988 . . . . 0.0 111.845 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -66.97 -27.22 67.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.908 1.283 . . . . 0.0 112.948 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -54.74 43.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.325 1.05 . . . . 0.0 112.088 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.65 -27.51 66.07 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.865 0.866 . . . . 0.0 112.562 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.9 m -63.27 -30.59 71.7 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.49 -0.756 . . . . 0.0 112.278 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -5.21 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -64.4 -15.77 61.12 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.628 1.571 . . . . 0.0 114.46 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.33 0 C-N-CA 126.247 1.879 . . . . 0.0 114.434 -179.27 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mtp . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 118.39 -0.814 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.86 -50.23 71.74 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.59 1.541 . . . . 0.0 113.746 -171.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 1.515 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 1.6 t80 -172.89 -62.32 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.469 1.908 . . . . 0.0 110.08 175.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.6 -14.86 59.12 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -160.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -66.42 -31.26 71.9 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.606 1.093 . . . . 0.0 112.687 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -63.46 -40.32 96.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.206 1.003 . . . . 0.0 112.532 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.797 HD22 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -65.95 -47.09 75.81 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.829 1.251 . . . . 0.0 111.641 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -51.9 50.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.369 1.068 . . . . 0.0 112.924 168.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 4.35 3.12 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.773 HD12 ' HA ' ' B' ' 14' ' ' ALA . 73.8 mt -109.03 -42.5 4.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.32 1.448 . . . . 0.0 111.51 166.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.713 ' HG3' ' OH ' ' B' ' 18' ' ' TYR . 6.9 mm-40 -67.79 -46.73 71.13 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.801 0.841 . . . . 0.0 112.262 -176.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -71.98 -31.69 66.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.351 -0.843 . . . . 0.0 112.349 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.75 -43.52 97.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.566 0.747 . . . . 0.0 111.658 170.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.83 86.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.305 0.642 . . . . 0.0 111.705 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 mtp -55.33 -42.95 74.48 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -53.97 -38.41 64.98 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.671 HD11 ' CD1' ' B' ' 10' ' ' LEU . 67.3 mt -85.21 -40.11 17.04 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.738 1.215 . . . . 0.0 111.274 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -61.68 -40.23 94.24 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.687 0.795 . . . . 0.0 111.698 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -32.27 66.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.224 0.92 . . . . 0.0 112.732 176.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.26 -52.28 59.47 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.831 0.741 . . . . 0.0 110.2 173.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.79 82.92 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.571 1.149 . . . . 0.0 112.445 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -60.25 -47.92 83.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.43 -0.794 . . . . 0.0 112.224 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -40.38 93.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.592 0.757 . . . . 0.0 112.444 175.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -73.35 -32.16 64.37 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.242 1.417 . . . . 0.0 114.144 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -112.98 -34.21 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.172 0.989 . . . . 0.0 112.902 -167.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.36 2.16 78.37 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.72 1.448 . . . . 0.0 116.72 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 140.82 97.98 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.575 1.688 . . . . 0.0 112.267 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.99 -36.84 9.47 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.622 2.214 . . . . 0.0 113.33 -173.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 -27.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 121.149 -0.97 . . . . 0.0 112.768 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.03 -37.29 86.89 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.328 -0.857 . . . . 0.0 112.039 170.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.18 65.83 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.37 -36.86 83.59 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.035 -1.041 . . . . 0.0 112.822 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.4 mt -57.81 -41.6 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.323 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.38 -40.38 96.27 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.46 1.027 . . . . 0.0 112.972 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.55 -40.7 97.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.215 1.006 . . . . 0.0 112.521 174.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.32 -52.07 25.43 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.088 0.955 . . . . 0.0 112.865 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -64.11 -26.43 68.54 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.469 -0.769 . . . . 0.0 112.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.42 -40.05 93.0 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.785 -1.197 . . . . 0.0 113.134 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -66.0 -39.87 90.65 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.589 1.086 . . . . 0.0 111.414 171.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -60.28 -36.83 78.74 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 35.8 mm -75.54 -40.06 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 127.292 2.237 . . . . 0.0 110.347 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.3 -44.56 97.02 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.461 -0.775 . . . . 0.0 110.345 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.547 ' CG ' HG23 ' B' ' 29' ' ' VAL . 39.8 m0 -64.28 -35.54 81.18 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.902 0.881 . . . . 0.0 112.672 169.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 tt -57.05 -49.89 74.44 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.369 1.068 . . . . 0.0 111.794 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.41 -37.95 68.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.492 1.117 . . . . 0.0 112.622 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.9 m -58.41 -40.49 82.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.717 ' CD1' ' CB ' ' B' ' 27' ' ' ASP . 9.4 mm -59.51 -7.96 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.198 1.799 . . . . 0.0 114.717 171.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -121.46 -3.2 9.39 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.598 1.959 . . . . 0.0 114.023 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 CA-C-O 118.26 -1.3 . . . . 0.0 113.75 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.41 152.34 45.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.241 0.617 . . . . 0.0 112.022 171.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -152.13 -38.16 0.11 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.463 1.105 . . . . 0.0 112.534 173.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 mt -41.23 -50.7 3.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.939 2.896 . . . . 0.0 113.306 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.82 -39.43 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.119 -0.988 . . . . 0.0 113.39 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -71.39 -27.45 63.34 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.38 0.991 . . . . 0.0 112.972 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.7 -51.07 68.65 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 120.137 1.335 . . . . 0.0 110.108 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -48.56 70.44 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.33 1.052 . . . . 0.0 112.057 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -75.96 9.19 2.56 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.671 ' CD1' HD11 ' A' ' 17' ' ' LEU . 81.0 mt -114.98 -41.18 3.38 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.165 0.986 . . . . 0.0 112.192 162.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.72 -49.63 24.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.44 1.018 . . . . 0.0 111.424 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -68.54 -25.87 65.14 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.264 -0.897 . . . . 0.0 113.133 173.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.85 -42.45 63.73 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.402 -0.811 . . . . 0.0 112.516 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.773 ' HA ' HD12 ' A' ' 10' ' ' LEU . . . -65.34 -39.69 92.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 112.063 171.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 30.7 tpp -51.33 -44.77 62.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.011 1.324 . . . . 0.0 113.77 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -54.35 -42.59 70.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.575 0.75 . . . . 0.0 112.224 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.636 HD11 ' CD1' ' A' ' 10' ' ' LEU . 61.4 mt -79.36 -40.7 29.54 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.217 1.407 . . . . 0.0 111.487 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.797 ' CD1' HD22 ' A' ' 7' ' ' LEU . 7.8 m-85 -56.57 -47.68 79.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.435 0.694 . . . . 0.0 110.797 173.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -73.78 -31.04 63.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.76 -50.63 62.1 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.777 0.799 . . . . 0.0 110.962 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 1.515 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -65.77 -37.7 87.05 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.191 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -55.29 -40.42 71.02 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.055 1.298 . . . . 0.0 112.924 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.13 -12.03 35.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.449 1.5 . . . . 0.0 114.32 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -125.73 -34.1 2.66 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.114 1.365 . . . . 0.0 113.825 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.417 HG23 ' CE2' ' A' ' 3' ' ' TYR . 99.1 t -79.1 -37.53 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.355 1.462 . . . . 0.0 111.015 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.56 -3.36 55.08 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 116.629 1.412 . . . . 0.0 116.629 171.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.717 ' CB ' ' CD1' ' A' ' 47' ' ' ILE . 1.7 m-20 -65.76 133.56 95.07 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 119.51 1.655 . . . . 0.0 112.412 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.78 -28.76 24.75 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.837 2.358 . . . . 0.0 113.332 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.621 HG11 HD13 ' A' ' 47' ' ' ILE . 9.4 p -64.69 -32.58 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.291 -0.881 . . . . 0.0 112.302 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.716 HD13 ' OH ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -66.06 -42.33 89.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.11 0.964 . . . . 0.0 111.036 174.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.28 87.07 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.814 170.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.09 -36.26 81.15 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.005 -1.06 . . . . 0.0 112.856 175.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.19 -39.98 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.75 -0.594 . . . . 0.0 112.026 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.251 0.7 OUTLIER -67.02 -24.91 66.06 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.823 1.192 . . . . 0.0 112.649 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.53 -42.81 74.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.588 1.155 . . . . 0.0 113.128 166.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.59 -46.4 79.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.162 0.985 . . . . 0.0 113.12 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -68.25 -13.36 62.2 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.997 -1.064 . . . . 0.0 113.172 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.62 -46.21 73.17 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.867 -1.145 . . . . 0.0 111.598 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -43.32 71.86 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 122.002 -0.436 . . . . 0.0 110.258 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -66.02 -11.95 51.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.91 -30.66 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.386 1.474 . . . . 0.0 110.351 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.82 -50.08 58.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.991 0.916 . . . . 0.0 110.873 169.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -59.04 -31.75 69.13 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.612 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.61 -53.03 63.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 112.076 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -60.45 -41.41 94.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.82 0.848 . . . . 0.0 112.048 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 m -59.56 -41.53 90.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.925 0.89 . . . . 0.0 112.678 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.32 -4.9 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -8.61 56.78 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.944 1.698 . . . . 0.0 113.779 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.107 -1.385 . . . . 0.0 113.319 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.715 0.293 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -59.11 -23.12 61.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -166.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -56.68 -33.34 66.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.35 1.46 . . . . 0.0 114.324 -174.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.57 -17.11 30.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.63 1.572 . . . . 0.0 115.232 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -56.51 -38.89 72.42 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.606 -0.684 . . . . 0.0 112.594 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.55 -37.95 83.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 123.941 0.897 . . . . 0.0 110.914 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 HD12 ' CZ ' ' B' ' 18' ' ' TYR . 18.9 mt -61.81 -47.61 84.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.59 0.632 . . . . 0.0 111.855 173.251 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.15 -50.36 64.72 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.173 0.989 . . . . 0.0 112.052 173.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -72.34 7.55 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.028 1.731 . . . . 0.0 114.409 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.6 mt -118.93 -41.01 2.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.703 1.601 . . . . 0.0 112.338 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.13 -47.63 49.7 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.639 1.109 . . . . 0.0 111.847 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.82 -36.08 83.18 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.55 -0.719 . . . . 0.0 111.971 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -62.11 -41.24 98.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.64 1.176 . . . . 0.0 112.59 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.09 77.64 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.701 -0.624 . . . . 0.0 112.077 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mtp -56.08 -38.57 70.86 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.56 -34.99 27.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.985 1.714 . . . . 0.0 113.465 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.8 mt -97.12 -40.49 8.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.454 1.502 . . . . 0.0 111.72 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -55.29 -47.52 75.41 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.056 0.942 . . . . 0.0 110.767 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -66.57 -30.99 71.42 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -73.97 -50.47 19.78 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.963 0.905 . . . . 0.0 111.35 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.96 70.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.89 1.276 . . . . 0.0 113.417 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -50.63 -47.7 58.35 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -82.87 -25.43 32.56 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.494 1.118 . . . . 0.0 113.826 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t -97.95 -42.14 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.175 0.99 . . . . 0.0 112.059 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 13.05 77.85 Favored Glycine 0 CA--C 1.539 1.542 0 N-CA-C 116.748 1.459 . . . . 0.0 116.748 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.81 139.8 33.09 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.506 1.653 . . . . 0.0 112.482 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.84 -29.57 18.54 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.017 2.478 . . . . 0.0 113.623 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.55 -32.1 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.397 -0.814 . . . . 0.0 112.094 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.27 -44.15 95.92 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.219 -0.926 . . . . 0.0 111.519 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.97 95.64 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.597 -0.689 . . . . 0.0 112.518 172.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.44 -33.21 72.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.688 1.195 . . . . 0.0 113.107 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.28 -32.92 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.305 0.642 . . . . 0.0 112.711 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.12 -37.81 81.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.576 1.08 . . . . 0.0 112.193 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.74 -40.12 95.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.235 1.014 . . . . 0.0 112.478 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -66.22 -56.22 12.39 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.391 -0.818 . . . . 0.0 111.454 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.96 -26.76 68.73 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.25 -53.57 56.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.259 0.936 . . . . 0.0 112.4 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -67.0 -34.29 77.43 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.141 -0.974 . . . . 0.0 112.611 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -54.05 -41.21 67.86 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.654 1.116 . . . . 0.0 113.32 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -86.17 -30.0 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 127.179 2.192 . . . . 0.0 110.974 -172.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.97 -47.07 81.86 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.244 -0.91 . . . . 0.0 110.4 165.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 26.6 m0 -64.1 -33.8 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.646 0.779 . . . . 0.0 112.417 171.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.21 -51.31 70.29 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.725 1.148 . . . . 0.0 112.722 176.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.92 -43.29 98.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.397 0.679 . . . . 0.0 111.811 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.3 m -57.73 -34.27 69.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.706 0.802 . . . . 0.0 112.365 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.95 -9.81 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.799 1.64 . . . . 0.0 114.579 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -104.16 -8.65 19.27 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.953 1.701 . . . . 0.0 113.865 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.303 0 C-N-CA 125.861 1.696 . . . . 0.0 113.116 178.559 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.335 0.112 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.02 122.73 13.34 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.668 1.187 . . . . 0.0 110.318 173.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -160.05 -39.58 0.05 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.239 1.815 . . . . 0.0 110.798 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.54 -27.36 67.59 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -64.38 -43.05 95.7 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.993 -1.067 . . . . 0.0 112.052 171.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.43 -35.43 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.936 0.789 . . . . 0.0 111.579 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.04 -51.56 69.1 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.469 1.031 . . . . 0.0 111.214 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.11 -51.7 63.37 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.714 0.688 . . . . 0.0 112.416 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 0.28 4.91 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -108.15 -39.19 5.56 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.585 1.154 . . . . 0.0 112.034 167.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.07 -37.89 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.52 1.055 . . . . 0.0 112.632 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -28.46 57.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.06 0.944 . . . . 0.0 112.997 172.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.63 -49.61 72.59 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.815 -0.553 . . . . 0.0 110.255 168.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.09 46.09 0.13 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.637 1.975 . . . . 0.0 113.21 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 33.2 tpp -149.65 -48.06 0.14 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 112.101 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -53.94 -44.71 70.9 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.876 0.762 . . . . 0.0 112.663 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 -35.85 18.04 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.305 1.042 . . . . 0.0 111.825 176.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.438 ' CZ ' HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.5 -46.42 86.74 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.109 0.964 . . . . 0.0 110.592 -175.121 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -68.73 -28.64 67.0 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 173.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -75.57 -56.16 4.97 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.209 1.004 . . . . 0.0 112.149 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -20.88 66.53 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -50.68 -46.47 58.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.808 1.243 . . . . 0.0 113.922 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.71 -35.31 80.64 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -76.08 -42.05 48.56 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.677 0.791 . . . . 0.0 112.76 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.0 -37.29 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 118.427 0.558 . . . . 0.0 111.904 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.69 -13.85 39.88 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.13 1.348 . . . . 0.0 116.259 167.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.92 127.18 92.47 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.345 1.573 . . . . 0.0 111.522 175.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.67 -31.84 20.15 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.602 2.201 . . . . 0.0 113.425 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -60.44 -28.01 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.876 0.871 . . . . 0.0 113.052 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.22 -40.18 93.03 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.258 1.023 . . . . 0.0 111.539 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.71 -35.46 78.83 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.93 -30.54 71.14 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.998 0.919 . . . . 0.0 113.28 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.35 -30.76 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.745 -0.597 . . . . 0.0 112.062 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.54 -35.12 78.41 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.07 -1.019 . . . . 0.0 112.113 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.95 -45.94 86.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.964 1.306 . . . . 0.0 111.972 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.46 -52.76 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.619 0.768 . . . . 0.0 111.976 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.29 -28.21 68.52 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.313 -0.867 . . . . 0.0 112.573 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.66 -45.97 84.49 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.044 -1.035 . . . . 0.0 111.846 171.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -45.67 93.33 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 171.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -56.55 -37.49 70.59 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 15.8 tt -88.44 -26.17 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.261 1.824 . . . . 0.0 111.955 -173.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.86 -45.38 82.32 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.316 -0.865 . . . . 0.0 110.532 162.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -63.66 -32.82 74.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.0 tt -55.7 -55.61 30.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.231 1.012 . . . . 0.0 113.055 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.53 -29.08 70.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.271 1.028 . . . . 0.0 113.469 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -16.19 46.39 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.041 1.737 . . . . 0.0 114.664 177.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.7 mm -92.96 -5.43 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 126.867 2.067 . . . . 0.0 112.783 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -70.99 3.37 3.42 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.101 2.16 . . . . 0.0 114.789 -175.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.217 0 C-N-CA 126.352 1.93 . . . . 0.0 112.374 -179.677 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.535 0.207 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.9 t0 53.22 51.39 15.68 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.673 1.989 . . . . 0.0 114.56 173.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.843 ' CD1' ' CB ' ' B' ' 21' ' ' ALA . 2.6 t80 -145.64 -63.37 0.33 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.349 1.46 . . . . 0.0 110.832 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -27.18 67.41 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.511 0.724 . . . . 0.0 112.789 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -58.69 -47.9 82.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.109 0.868 . . . . 0.0 111.012 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.476 ' OE2' HD21 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -60.24 -19.28 53.88 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.311 1.444 . . . . 0.0 113.478 173.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.473 HD12 ' CE1' ' B' ' 18' ' ' TYR . 21.9 mt -91.59 -44.85 8.81 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.67 0.788 . . . . 0.0 112.257 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.58 -51.52 62.7 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.46 -1.4 . . . . 0.0 112.365 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -0.96 2.37 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 172.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 1.121 ' CD1' ' HB1' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -103.74 -50.13 3.49 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 127.163 2.185 . . . . 0.0 108.517 175.252 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.85 -37.53 26.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.157 0.89 . . . . 0.0 110.808 -166.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.14 -28.42 65.35 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.547 1.139 . . . . 0.0 112.822 169.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.18 -51.5 20.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.216 1.007 . . . . 0.0 110.711 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 1.08 ' HB1' ' CD1' ' B' ' 10' ' ' LEU . . . -68.74 52.03 0.08 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.079 2.951 . . . . 0.0 112.978 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.2 tpp -160.62 -53.1 0.05 Allowed 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 126.348 1.859 . . . . 0.0 108.324 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -56.82 -43.8 81.38 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.057 1.298 . . . . 0.0 112.173 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 -36.06 22.23 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.73 0.812 . . . . 0.0 111.086 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.431 ' CD2' HD21 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -58.9 -50.51 73.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.365 0.416 . . . . 0.0 110.436 177.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.82 63.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 175.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.31 -59.19 2.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.743 1.217 . . . . 0.0 111.267 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 1.495 ' HB2' ' CZ ' ' B' ' 3' ' ' TYR . . . -61.2 -37.46 83.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.044 0.538 . . . . 0.0 112.053 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -53.92 -40.67 66.93 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -59.62 -42.14 92.02 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.197 0.999 . . . . 0.0 112.637 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -74.88 -40.72 60.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.703 1.201 . . . . 0.0 112.35 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -65.48 -49.64 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.25 1.42 . . . . 0.0 111.863 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.52 34.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.594 1.092 . . . . 0.0 114.568 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.8 136.49 20.0 Favored Pre-proline 0 N--CA 1.478 0.937 0 CA-C-N 118.77 1.285 . . . . 0.0 112.22 178.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.86 -40.95 2.36 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.72 2.28 . . . . 0.0 112.001 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -65.32 -31.67 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.365 0.666 . . . . 0.0 112.2 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.74 ' CD1' HG12 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -70.82 -39.99 72.71 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.762 0.825 . . . . 0.0 111.415 176.644 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.35 83.84 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.418 -0.801 . . . . 0.0 111.958 168.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -66.53 -34.07 77.09 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.919 -1.113 . . . . 0.0 113.125 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG12 ' CD2' ' B' ' 40' ' ' HIS . 14.7 mt -59.36 -47.41 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.056 -1.028 . . . . 0.0 111.628 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -34.18 72.82 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 118.898 0.772 . . . . 0.0 111.253 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.99 93.85 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.409 -1.432 . . . . 0.0 112.713 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.467 ' HB2' ' HE2' ' B' ' 40' ' ' HIS . 0.9 OUTLIER -68.59 -33.45 74.07 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.139 -0.975 . . . . 0.0 112.903 171.656 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.657 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 21.6 mm-40 -67.77 6.26 0.7 Allowed 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 174.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.99 -49.92 4.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 128.272 2.629 . . . . 0.0 108.546 -178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -57.15 -35.07 69.07 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.776 -1.202 . . . . 0.0 111.81 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -60.77 -4.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.017 2.527 . . . . 0.0 117.712 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -121.54 -26.62 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 121.292 1.86 . . . . 0.0 111.507 176.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.68 -50.14 33.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.495 1.118 . . . . 0.0 111.119 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.81 -26.86 62.57 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.693 0.797 . . . . 0.0 112.751 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.46 -55.93 26.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.269 1.427 . . . . 0.0 112.687 176.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -39.31 93.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.595 -0.69 . . . . 0.0 111.442 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -59.44 -24.93 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.921 0.888 . . . . 0.0 112.759 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -9.34 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.466 1.506 . . . . 0.0 114.043 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -71.6 -8.43 53.98 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.96 1.704 . . . . 0.0 113.483 173.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 CA-C-O 117.51 -1.717 . . . . 0.0 113.846 -178.602 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.747 0.308 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -173.25 -56.49 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.107 1.763 . . . . 0.0 110.549 -175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 1.495 ' CZ ' ' HB2' ' A' ' 21' ' ' ALA . 7.3 t80 -67.41 -58.15 5.28 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.193 0.997 . . . . 0.0 111.273 176.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -30.24 71.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.284 0.634 . . . . 0.0 112.508 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -60.93 -50.08 74.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.755 1.222 . . . . 0.0 110.905 174.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -14.6 5.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.851 1.26 . . . . 0.0 114.042 172.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.431 HD21 ' CD2' ' A' ' 18' ' ' TYR . 23.2 mt -96.88 -46.47 6.22 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -50.82 -50.22 56.96 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.536 -1.353 . . . . 0.0 113.071 173.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 17.23 0.45 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.699 1.6 . . . . 0.0 114.239 173.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 1.08 ' CD1' ' HB1' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -122.34 -44.11 2.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.665 2.386 . . . . 0.0 108.967 173.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -78.42 -50.37 11.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.708 1.203 . . . . 0.0 110.476 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.88 -24.05 64.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.124 0.97 . . . . 0.0 112.541 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -46.47 57.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.601 -1.312 . . . . 0.0 111.787 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 1.121 ' HB1' ' CD1' ' A' ' 10' ' ' LEU . . . -68.4 -33.5 74.34 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 171.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -51.08 -41.01 59.68 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.781 0.832 . . . . 0.0 112.683 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -56.61 -48.38 77.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.924 0.89 . . . . 0.0 112.658 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.476 HD21 ' OE2' ' A' ' 6' ' ' GLU . 10.1 mt -67.63 -38.38 83.81 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.023 0.929 . . . . 0.0 110.873 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.473 ' CE1' HD12 ' A' ' 7' ' ' LEU . 6.2 m-85 -62.07 -31.85 72.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.295 1.438 . . . . 0.0 113.824 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -24.85 22.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.311 0.644 . . . . 0.0 112.526 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.16 -60.51 2.34 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.355 1.062 . . . . 0.0 111.441 -176.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.843 ' CB ' ' CD1' ' A' ' 3' ' ' TYR . . . -84.77 63.17 7.85 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.21 1.404 . . . . 0.0 111.042 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -124.8 -50.7 1.71 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.741 1.216 . . . . 0.0 111.033 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.85 -32.08 72.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.835 1.254 . . . . 0.0 112.252 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -42.73 69.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.416 1.486 . . . . 0.0 113.203 173.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.67 HG22 ' CE2' ' A' ' 3' ' ' TYR . 41.7 t -75.11 -47.27 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.083 0.953 . . . . 0.0 111.773 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.15 48.67 Favored Glycine 0 CA--C 1.539 1.567 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.3 137.1 19.82 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 118.355 1.078 . . . . 0.0 111.549 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.67 -42.08 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.951 2.434 . . . . 0.0 112.137 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.17 -23.82 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.479 HD13 ' OH ' ' A' ' 3' ' ' TYR . 1.7 tt -59.63 -41.9 91.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.768 -1.208 . . . . 0.0 112.129 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.68 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -78.95 -34.66 44.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.324 1.45 . . . . 0.0 112.821 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.47 -45.73 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.421 1.088 . . . . 0.0 111.216 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -31.57 71.4 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.813 0.445 . . . . 0.0 111.841 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -40.64 70.13 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.638 1.575 . . . . 0.0 112.903 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.57 -34.73 78.93 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.658 -1.276 . . . . 0.0 112.179 170.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -67.21 -7.87 27.19 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 168.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -49.5 17.54 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.097 -1.627 . . . . 0.0 112.255 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -36.04 68.75 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 174.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.566 ' CD2' HG12 ' A' ' 33' ' ' ILE . 17.7 m170 -64.19 -4.3 3.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 128.136 2.574 . . . . 0.0 117.347 175.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.75 -31.19 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 120.043 1.292 . . . . 0.0 111.384 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.23 -50.6 63.22 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.405 -0.809 . . . . 0.0 111.412 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -67.35 -27.42 67.11 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.64 -55.4 34.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.585 1.154 . . . . 0.0 112.915 177.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.81 -39.94 93.51 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.376 -0.827 . . . . 0.0 111.416 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -59.3 -21.61 59.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.248 1.019 . . . . 0.0 113.017 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.74 HG12 ' CD1' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -69.78 -12.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.262 1.425 . . . . 0.0 114.344 175.176 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -82.05 -76.86 0.24 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.489 1.516 . . . . 0.0 112.606 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.972 1.749 . . . . 0.0 113.065 -169.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . 0.657 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ttt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.43 -27.43 69.1 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -71.14 -2.43 15.74 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.958 1.703 . . . . 0.0 115.191 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -54.97 -26.91 39.84 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -159.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -58.88 -38.8 79.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.054 1.297 . . . . 0.0 112.608 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.31 -25.79 64.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.163 0.985 . . . . 0.0 112.802 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' B' ' 17' ' ' LEU . 51.2 mt -76.78 -48.29 19.07 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.948 0.899 . . . . 0.0 110.821 172.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -46.88 76.66 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.831 1.253 . . . . 0.0 112.264 174.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.18 7.68 3.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.408 1.483 . . . . 0.0 114.456 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.2 mt -114.65 -43.62 3.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 161.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.3 -37.27 60.91 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.339 1.427 . . . . 0.0 113.082 -171.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -78.01 -33.22 51.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.566 -1.333 . . . . 0.0 112.41 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.45 -42.01 90.98 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.218 1.007 . . . . 0.0 111.522 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.673 ' CB ' HD23 ' B' ' 10' ' ' LEU . . . -60.18 -50.9 71.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.617 1.167 . . . . 0.0 112.11 169.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttm -54.52 -42.37 70.77 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -54.03 -38.47 65.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.93 -40.64 14.63 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.232 1.413 . . . . 0.0 111.407 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.25 -39.86 80.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.482 1.113 . . . . 0.0 111.523 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -25.85 51.99 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -71.35 -54.11 11.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.172 0.986 . . . . 0.0 110.562 173.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.23 40.48 0.35 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.517 1.927 . . . . 0.0 113.551 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -110.7 -54.12 2.62 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.251 1.021 . . . . 0.0 109.833 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.56 -37.59 84.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.955 . . . . 0.0 112.884 175.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.61 -18.41 61.05 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -113.56 -39.08 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 118.969 0.804 . . . . 0.0 112.612 -168.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.37 -8.17 20.09 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 167.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.99 129.74 94.09 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.676 1.738 . . . . 0.0 112.252 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.72 -26.7 19.08 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.767 2.311 . . . . 0.0 113.412 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.5 HG21 ' CE3' ' B' ' 43' ' ' TRP . 9.4 p -66.93 -30.08 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.05 -1.031 . . . . 0.0 112.482 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.29 -40.75 95.31 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.39 171.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.3 79.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.226 -0.921 . . . . 0.0 112.919 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -68.81 -34.05 74.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.168 -0.957 . . . . 0.0 113.503 172.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' B' ' 40' ' ' HIS . 47.4 mt -57.39 -41.72 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.656 165.673 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.74 -40.98 85.4 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.501 1.501 . . . . 0.0 112.949 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.59 -37.69 80.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.986 1.314 . . . . 0.0 113.036 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.34 -50.04 56.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.21 1.004 . . . . 0.0 112.258 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.598 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 27.1 mm-40 -66.81 -29.65 69.65 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.204 -0.935 . . . . 0.0 111.421 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.82 -48.3 82.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.006 1.275 . . . . 0.0 112.366 169.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.73 -42.81 75.87 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.631 0.772 . . . . 0.0 112.057 171.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.533 ' CE1' HG22 ' B' ' 33' ' ' ILE . 37.4 m170 -60.03 -34.57 73.56 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 116.869 -1.538 . . . . 0.0 114.485 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.9 mm -74.58 -39.79 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.561 1.944 . . . . 0.0 110.661 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.08 -43.66 98.55 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.39 -0.818 . . . . 0.0 110.452 173.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.498 ' HE3' HD13 ' B' ' 33' ' ' ILE . 43.4 m0 -66.85 -33.02 74.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.054 0.941 . . . . 0.0 112.615 170.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.67 -52.12 67.03 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.495 1.118 . . . . 0.0 112.785 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.2 -41.81 84.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.679 0.792 . . . . 0.0 111.556 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.2 m -62.68 -28.42 69.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.591 1.157 . . . . 0.0 113.453 173.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.41 -9.78 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -71.79 -15.76 62.16 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.75 1.62 . . . . 0.0 114.057 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.23 0 C-N-CA 125.968 1.747 . . . . 0.0 114.131 -174.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.556 0.217 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -143.57 149.69 37.77 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.918 1.287 . . . . 0.0 110.641 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -165.97 -39.56 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.763 2.425 . . . . 0.0 109.788 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -57.67 -34.77 69.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.358 1.463 . . . . 0.0 114.322 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -61.4 -43.62 98.55 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 111.902 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.47 -30.64 71.02 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.077 0.951 . . . . 0.0 112.658 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.91 -47.31 75.19 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.729 1.15 . . . . 0.0 111.757 168.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.09 -49.48 71.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.569 0.748 . . . . 0.0 112.034 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.29 4.45 0.71 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.673 HD23 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.49 -46.12 2.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.545 1.938 . . . . 0.0 110.844 172.446 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.91 -39.2 72.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.767 1.167 . . . . 0.0 111.156 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -29.37 65.24 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.222 -0.923 . . . . 0.0 113.461 169.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.31 -42.56 79.25 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.124 -0.985 . . . . 0.0 111.964 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.11 96.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.469 0.708 . . . . 0.0 111.956 171.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 37.0 tpp -55.54 -39.04 70.07 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.76 -47.33 77.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.996 0.918 . . . . 0.0 112.855 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.46 ' HB3' HD23 ' A' ' 7' ' ' LEU . 59.0 mt -69.72 -42.34 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.147 0.979 . . . . 0.0 111.259 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.03 -38.77 83.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.047 0.939 . . . . 0.0 112.191 175.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -78.22 -30.14 48.69 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.553 1.069 . . . . 0.0 112.96 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -45.64 82.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.375 0.989 . . . . 0.0 109.775 174.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.48 -33.65 76.03 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.395 1.078 . . . . 0.0 113.649 171.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t -66.63 -48.34 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.054 -1.029 . . . . 0.0 112.091 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.66 -26.03 68.21 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.775 1.23 . . . . 0.0 113.462 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -31.52 12.16 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.32 -50.97 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.406 1.003 . . . . 0.0 112.743 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.18 93.77 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.228 0.851 . . . . 0.0 115.228 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -52.7 138.45 42.3 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 118.223 1.012 . . . . 0.0 111.807 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.07 -19.86 38.84 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.307 2.005 . . . . 0.0 117.223 -168.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -90.72 -26.31 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 121.187 1.812 . . . . 0.0 111.694 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.85 -43.43 98.86 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.801 -1.187 . . . . 0.0 110.455 168.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -9.58 17.82 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.362 1.865 . . . . 0.0 115.558 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -20.17 10.63 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.686 1.13 . . . . 0.0 113.802 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.533 HG22 ' CE1' ' A' ' 40' ' ' HIS . 71.9 mt -63.15 -40.19 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.169 -0.957 . . . . 0.0 110.699 166.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.52 -21.82 65.83 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -80.87 -41.49 23.06 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.078 1.351 . . . . 0.0 112.214 168.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.25 -48.2 82.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.465 1.106 . . . . 0.0 112.534 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.604 ' OE2' 'ZN ' ' A' ' 50' ' ' ' ZN' . 43.0 mm-40 -66.83 -19.03 65.66 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.507 -0.745 . . . . 0.0 112.136 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -68.19 -44.49 75.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.951 -1.093 . . . . 0.0 111.933 171.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.86 -45.7 89.51 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.091 -0.381 . . . . 0.0 110.397 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.557 ' CD2' HG12 ' A' ' 33' ' ' ILE . 27.0 m170 -58.36 -42.8 87.74 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 16.2 tt -82.11 -26.88 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.372 1.869 . . . . 0.0 111.999 -174.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.17 -49.4 75.98 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.555 -0.715 . . . . 0.0 110.048 163.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.5 ' CE3' HG21 ' A' ' 29' ' ' VAL . 30.3 m0 -64.54 -32.43 74.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.82 0.848 . . . . 0.0 113.254 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 tt -57.95 -50.28 73.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.528 1.131 . . . . 0.0 112.712 179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -58.13 -40.35 81.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.189 0.595 . . . . 0.0 112.006 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.87 -24.2 64.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.614 1.165 . . . . 0.0 113.544 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.82 -11.14 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 120.236 1.38 . . . . 0.0 112.852 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -77.01 -8.45 57.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.233 1.413 . . . . 0.0 113.917 170.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.22 0 C-N-CA 126.066 1.793 . . . . 0.0 114.285 -178.178 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . 0.604 'ZN ' ' OE2' ' B' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . 0.598 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -146.63 113.88 6.25 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.409 1.084 . . . . 0.0 110.384 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -158.39 -42.95 0.06 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.33 -39.51 83.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.939 1.296 . . . . 0.0 113.067 -176.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -54.36 -40.96 68.61 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -32.57 74.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.75 0.705 . . . . 0.0 112.835 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.4 mt -67.98 -48.74 64.95 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.519 0.728 . . . . 0.0 110.828 172.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -49.86 48.21 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.564 1.146 . . . . 0.0 112.599 170.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -58.38 -15.19 9.63 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.325 1.85 . . . . 0.0 115.709 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.13 -41.38 5.37 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.408 1.883 . . . . 0.0 110.943 177.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.92 -35.57 64.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.118 0.967 . . . . 0.0 112.242 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.12 -28.87 62.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.391 0.996 . . . . 0.0 112.994 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -52.25 60.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.825 0.85 . . . . 0.0 110.404 168.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.34 40.22 0.05 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 127.119 2.168 . . . . 0.0 113.676 168.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.7 tpp -139.32 -52.08 0.54 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.497 1.519 . . . . 0.0 111.899 173.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.94 -33.7 67.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.441 0.696 . . . . 0.0 112.724 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -80.57 -36.52 32.83 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 127.759 2.423 . . . . 0.0 113.373 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.68 -38.87 64.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.11 -168.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -35.01 77.45 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 162.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.55 -53.53 27.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.621 1.101 . . . . 0.0 112.371 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.71 84.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.998 0.919 . . . . 0.0 112.738 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t -58.48 -46.26 86.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.259 0.624 . . . . 0.0 112.605 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.97 -27.83 69.67 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -79.82 -50.21 10.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.121 0.968 . . . . 0.0 111.487 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.18 -37.17 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.301 1.04 . . . . 0.0 112.427 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.73 29.79 64.88 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 123.996 0.808 . . . . 0.0 115.111 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.11 133.63 20.45 Favored Pre-proline 0 N--CA 1.474 0.749 0 CA-C-N 118.557 1.179 . . . . 0.0 111.419 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -67.56 -37.18 17.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.357 2.038 . . . . 0.0 112.876 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.38 -28.1 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.133 1.333 . . . . 0.0 113.133 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -42.39 92.22 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.07 -1.019 . . . . 0.0 111.095 170.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -12.79 55.86 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -29.24 14.86 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.999 1.272 . . . . 0.0 113.201 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.566 HG22 ' CE1' ' B' ' 40' ' ' HIS . 60.8 mt -58.4 -46.84 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 111.706 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.2 -31.56 72.81 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.02 79.41 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.665 1.186 . . . . 0.0 113.046 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -76.09 -36.53 58.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.222 1.009 . . . . 0.0 112.848 175.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.68 -23.99 67.4 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.006 -1.059 . . . . 0.0 112.473 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.91 -48.24 81.34 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.641 -1.287 . . . . 0.0 112.095 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -45.55 86.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.094 0.558 . . . . 0.0 110.467 174.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CD2' HG12 ' B' ' 33' ' ' ILE . 35.6 m170 -57.81 -35.5 70.94 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 124.473 1.109 . . . . 0.0 113.835 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 6.9 mm -77.79 -42.94 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 128.384 2.674 . . . . 0.0 110.619 -178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.83 -45.64 92.93 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.761 -0.587 . . . . 0.0 110.564 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.537 ' CD2' HG23 ' B' ' 29' ' ' VAL . 40.7 m0 -62.11 -35.57 79.11 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.613 0.765 . . . . 0.0 112.308 170.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.43 -56.59 20.21 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.305 0.957 . . . . 0.0 112.056 179.214 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.05 -41.96 99.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.46 1.104 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -58.2 -36.65 73.42 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.183 0.993 . . . . 0.0 112.808 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -89.99 -7.51 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -95.38 -13.38 24.75 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.419 1.487 . . . . 0.0 113.936 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.238 0 C-N-CA 125.334 1.445 . . . . 0.0 113.833 172.683 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 119.513 -0.279 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 24.8 t0 47.37 45.39 16.89 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.791 1.636 . . . . 0.0 114.781 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -137.16 -46.96 0.57 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.321 1.048 . . . . 0.0 112.667 -172.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -57.82 -34.8 70.05 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.176 1.79 . . . . 0.0 112.584 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.41 -44.3 95.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.876 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.97 -32.69 73.16 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.926 1.239 . . . . 0.0 112.717 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.51 -51.77 57.56 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.411 0.685 . . . . 0.0 110.512 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.06 -50.2 59.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.537 1.535 . . . . 0.0 112.803 171.395 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -68.28 -2.38 8.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.744 2.018 . . . . 0.0 114.93 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -105.8 -45.32 4.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.637 1.175 . . . . 0.0 111.65 163.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.29 -43.28 74.13 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.423 1.01 . . . . 0.0 112.821 -173.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.47 -34.2 67.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.439 -1.413 . . . . 0.0 112.767 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -60.29 -47.66 85.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 110.86 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.39 -47.53 78.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.98 1.312 . . . . 0.0 112.405 173.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -53.27 -47.31 69.25 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -58.16 -32.44 68.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.893 1.277 . . . . 0.0 113.278 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.67 -39.42 14.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.951 1.7 . . . . 0.0 111.597 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.96 -40.5 89.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.124 0.57 . . . . 0.0 111.176 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -70.49 -32.46 69.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.802 1.241 . . . . 0.0 114.149 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.11 -51.94 27.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.952 0.882 . . . . 0.0 110.434 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 59.68 4.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.33 1.452 . . . . 0.0 111.786 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -125.24 -50.15 1.67 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.214 1.006 . . . . 0.0 111.83 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.24 -39.45 78.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.379 1.071 . . . . 0.0 111.799 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -32.81 70.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.505 1.122 . . . . 0.0 112.748 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.5 -41.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.499 1.12 . . . . 0.0 111.645 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.8 83.29 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.386 1.469 . . . . 0.0 116.612 167.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -83.23 136.09 43.76 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 119.411 1.605 . . . . 0.0 112.474 -177.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.39 -35.58 4.78 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.831 2.354 . . . . 0.0 113.716 -170.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.537 HG23 ' CD2' ' A' ' 43' ' ' TRP . 9.0 p -65.45 -28.7 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.041 0.837 . . . . 0.0 112.274 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.85 -42.47 84.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.975 1.31 . . . . 0.0 112.003 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.72 -23.62 67.31 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 174.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -94.14 -25.7 17.01 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.569 1.148 . . . . 0.0 113.124 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.613 HG12 ' CD2' ' A' ' 40' ' ' HIS . 43.2 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.989 . . . . 0.0 110.157 168.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 77.6 mt -53.06 -46.89 68.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.314 1.046 . . . . 0.0 112.832 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -37.53 84.17 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.823 1.649 . . . . 0.0 112.565 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -71.2 -41.41 70.3 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.573 1.149 . . . . 0.0 111.99 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.28 -12.74 58.2 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.44 -42.74 64.69 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.953 -1.717 . . . . 0.0 112.784 171.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.41 -39.3 72.82 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.486 -0.759 . . . . 0.0 110.714 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.566 ' CE1' HG22 ' A' ' 33' ' ' ILE . 25.6 m170 -67.42 -3.2 7.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.359 1.863 . . . . 0.0 115.538 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.0 mm -114.85 -40.12 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.821 1.649 . . . . 0.0 110.041 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.88 -52.09 65.54 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.249 -0.907 . . . . 0.0 111.836 173.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -63.23 -31.2 72.29 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.853 -0.53 . . . . 0.0 112.068 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -58.15 9.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.977 1.311 . . . . 0.0 111.788 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.14 -41.32 96.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.742 0.817 . . . . 0.0 111.467 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 68.3 m -58.03 -49.83 75.51 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.662 0.785 . . . . 0.0 112.285 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.9 mm -72.33 -8.42 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -101.32 5.26 42.26 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.689 1.995 . . . . 0.0 113.437 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 C-N-CA 126.012 1.768 . . . . 0.0 113.945 172.475 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 1.056 ' OD1' ' CB ' ' B' ' 21' ' ' ALA . 10.0 t70 48.04 19.36 0.18 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 118.334 2.716 . . . . 0.0 118.334 165.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.451 ' CE1' HD21 ' B' ' 17' ' ' LEU . 7.1 p90 43.06 34.36 0.63 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 126.142 1.777 . . . . 0.0 115.601 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -23.03 64.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 118.005 2.595 . . . . 0.0 118.005 -149.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -55.15 -36.77 66.16 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.03 -29.23 69.55 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.466 1.03 . . . . 0.0 113.231 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.37 -47.03 29.43 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.468 1.107 . . . . 0.0 111.829 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -49.34 37.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.756 0.822 . . . . 0.0 112.409 166.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -69.79 4.98 1.66 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -115.72 -42.19 3.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.168 1.387 . . . . 0.0 111.446 166.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.51 ' OE2' ' OH ' ' B' ' 18' ' ' TYR . 6.1 mm-40 -71.99 -42.53 66.37 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.42 -0.8 . . . . 0.0 112.365 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -73.04 -30.19 63.55 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.97 -1.081 . . . . 0.0 111.959 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -42.83 99.58 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.122 -0.986 . . . . 0.0 111.879 172.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.74 85.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.202 0.601 . . . . 0.0 111.968 171.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.8 tpp -53.21 -44.31 67.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.447 1.099 . . . . 0.0 113.429 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -54.13 -35.82 62.61 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.182 1.393 . . . . 0.0 113.714 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.1 mt -87.23 -38.71 16.09 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.158 1.383 . . . . 0.0 111.069 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.97 -22.94 67.15 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -88.05 -10.09 51.34 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 170.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -103.22 -57.61 2.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.509 1.124 . . . . 0.0 110.52 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.44 59.12 1.41 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.492 1.917 . . . . 0.0 111.492 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -133.97 -49.99 0.82 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.209 1.403 . . . . 0.0 111.573 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.79 -31.57 64.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.153 0.581 . . . . 0.0 111.863 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -79.95 -28.29 39.65 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.859 1.264 . . . . 0.0 113.038 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -85.23 -48.24 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.166 0.986 . . . . 0.0 111.869 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -8.75 70.46 Favored Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.53 140.08 92.09 Favored Pre-proline 0 CA--C 1.551 1.012 0 CA-C-N 119.649 1.724 . . . . 0.0 113.548 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.17 -34.16 6.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.234 2.623 . . . . 0.0 113.589 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p -63.46 -25.3 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.226 -0.921 . . . . 0.0 112.708 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -34.14 72.96 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.353 1.061 . . . . 0.0 112.043 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -21.06 61.53 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 171.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.52 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 11.7 mmpt? -83.31 -33.99 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.812 1.245 . . . . 0.0 112.452 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.497 HD12 ' CD2' ' B' ' 40' ' ' HIS . 24.2 mm -51.14 -55.16 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.704 0.802 . . . . 0.0 111.131 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.22 -27.13 67.74 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -76.69 -23.9 53.16 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.872 -1.142 . . . . 0.0 113.9 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -77.07 -43.8 33.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.18 0.992 . . . . 0.0 111.432 167.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.95 -20.17 64.97 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.972 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -56.19 -51.96 66.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.803 -1.186 . . . . 0.0 111.958 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -59.92 -38.46 82.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.745 0.818 . . . . 0.0 111.153 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.98 ' CE1' HG22 ' B' ' 33' ' ' ILE . 29.9 m170 -67.98 -8.96 41.66 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -110.1 -37.23 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 109.729 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.53 -50.69 72.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.755 0.822 . . . . 0.0 111.059 172.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 1.028 ' HE3' HD13 ' B' ' 33' ' ' ILE . 31.1 m0 -65.61 -32.84 74.63 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.853 0.861 . . . . 0.0 112.442 172.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.92 -56.37 23.18 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.115 0.966 . . . . 0.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.23 -42.18 90.44 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.195 0.998 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 m -59.09 -23.83 62.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.329 1.052 . . . . 0.0 113.186 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.579 HD12 HD11 ' B' ' 30' ' ' LEU . 85.2 mt -103.33 -17.31 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 120.136 1.335 . . . . 0.0 112.464 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -71.96 -32.5 67.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.218 1.807 . . . . 0.0 113.195 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.19 0 C-N-CA 125.701 1.619 . . . . 0.0 113.634 176.591 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 45.9 58.44 4.37 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.631 1.972 . . . . 0.0 113.969 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -131.25 -155.95 0.72 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.735 1.614 . . . . 0.0 110.464 -163.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pp -52.92 -30.79 36.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.052 1.741 . . . . 0.0 114.867 -177.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -37.96 71.97 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.49 -1.381 . . . . 0.0 112.81 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.7 -36.99 86.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.79 1.177 . . . . 0.0 111.774 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.8 mt -59.84 -53.42 58.14 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.835 0.743 . . . . 0.0 111.636 173.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -51.13 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.083 0.953 . . . . 0.0 112.903 168.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.5 7.97 2.06 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.542 1.537 . . . . 0.0 114.958 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -115.54 -40.05 3.46 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.683 1.593 . . . . 0.0 111.05 165.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.19 -44.85 64.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.933 0.893 . . . . 0.0 111.515 -177.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -74.98 -29.46 60.91 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.019 . . . . 0.0 113.136 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.7 -41.29 88.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.163 -0.961 . . . . 0.0 112.309 170.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.47 89.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.169 0.588 . . . . 0.0 111.735 170.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.1 ttm -54.24 -39.99 67.3 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.32 -46.49 89.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.392 0.677 . . . . 0.0 111.81 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.451 HD21 ' CE1' ' A' ' 3' ' ' TYR . 57.4 mt -67.43 -38.65 84.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.945 1.298 . . . . 0.0 111.267 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.51 ' OH ' ' OE2' ' A' ' 11' ' ' GLU . 3.7 m-85 -64.15 -10.66 24.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.312 1.445 . . . . 0.0 114.406 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.77 -10.28 11.11 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 170.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 0.405 ' HB3' ' HH ' ' A' ' 3' ' ' TYR . 0.3 OUTLIER -78.05 -50.47 12.02 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.138 0.975 . . . . 0.0 112.823 -175.816 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 1.056 ' CB ' ' OD1' ' A' ' 2' ' ' ASP . . . -106.31 -28.25 10.5 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.158 0.983 . . . . 0.0 113.281 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -54.51 -44.63 72.9 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.025 0.93 . . . . 0.0 112.178 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.09 -31.39 71.83 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.679 1.192 . . . . 0.0 113.567 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -81.63 -39.8 23.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.241 1.016 . . . . 0.0 112.932 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.618 HG23 ' HB2' ' A' ' 2' ' ' ASP . 73.8 t -68.66 -35.71 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.228 1.011 . . . . 0.0 111.775 177.213 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.91 87.27 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.322 1.439 . . . . 0.0 115.427 174.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.85 126.1 92.19 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 118.873 1.336 . . . . 0.0 112.018 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.46 -34.56 2.6 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.213 1.942 . . . . 0.0 114.983 -170.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.944 HG23 ' CE2' ' A' ' 43' ' ' TRP . 11.2 p -72.36 -31.05 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 120.255 1.389 . . . . 0.0 110.986 174.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.579 HD11 HD12 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -65.78 -39.22 90.78 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.448 -0.782 . . . . 0.0 111.238 174.179 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.41 89.19 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 168.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.598 ' HE2' ' CH2' ' A' ' 43' ' ' TRP . 11.9 pttt -67.23 -23.88 65.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 1.028 HD13 ' HE3' ' A' ' 43' ' ' TRP . 15.1 mt -61.6 -41.44 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.576 1.08 . . . . 0.0 112.537 178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -22.07 66.25 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.11 -31.44 72.58 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.206 1.803 . . . . 0.0 114.002 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -74.66 -38.27 62.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.352 0.661 . . . . 0.0 110.919 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.41 -23.32 67.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.854 0.862 . . . . 0.0 112.523 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.06 -45.71 92.35 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.739 -1.226 . . . . 0.0 112.091 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.77 -39.28 93.89 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.684 -0.635 . . . . 0.0 110.632 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.497 ' CD2' HD12 ' A' ' 33' ' ' ILE . 26.6 m170 -61.41 -24.67 66.67 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 mm -84.67 -42.3 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 127.251 2.22 . . . . 0.0 110.083 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.64 -45.46 93.93 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.338 -0.851 . . . . 0.0 111.202 170.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -67.54 -28.1 67.52 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.59 1.156 . . . . 0.0 113.117 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -50.32 74.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.256 0.934 . . . . 0.0 112.19 172.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.18 -44.2 97.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 111.005 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.8 m -58.08 -32.99 68.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.429 1.092 . . . . 0.0 112.753 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -9.43 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.421 1.488 . . . . 0.0 114.742 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -140.68 15.02 2.33 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.047 1.739 . . . . 0.0 113.599 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 C-N-CA 125.692 1.615 . . . . 0.0 113.201 -177.143 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 119.791 -0.147 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.6 t70 51.45 29.29 5.15 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.89 1.676 . . . . 0.0 114.72 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 14.5 p90 -75.8 -5.77 47.44 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.636 1.574 . . . . 0.0 115.109 -168.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.34 -19.24 0.77 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -55.95 -40.05 72.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.66 1.573 . . . . 0.0 111.926 168.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.88 -33.68 76.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.571 1.078 . . . . 0.0 112.619 176.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' B' ' 18' ' ' TYR . 89.1 mt -64.49 -48.41 75.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.637 0.653 . . . . 0.0 111.345 170.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.91 0.884 . . . . 0.0 112.311 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -71.55 2.54 4.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -111.33 -42.69 3.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.016 1.326 . . . . 0.0 112.334 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.68 -38.95 53.59 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.13 0.877 . . . . 0.0 112.384 -172.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.96 -27.98 61.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.475 -0.766 . . . . 0.0 112.471 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -51.43 69.94 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.633 -0.667 . . . . 0.0 111.369 164.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.44 42.72 0.1 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.581 1.952 . . . . 0.0 113.872 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.28 -43.02 0.14 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.738 1.615 . . . . 0.0 112.434 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -59.82 -41.2 90.79 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.524 0.73 . . . . 0.0 112.631 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 -32.38 18.02 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.491 1.116 . . . . 0.0 111.58 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.7 -41.27 90.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.091 0.556 . . . . 0.0 111.145 -177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -64.29 -36.19 83.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.12 -46.17 68.33 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.101 1.36 . . . . 0.0 110.832 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.1 84.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.626 1.171 . . . . 0.0 111.798 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t -57.38 -45.92 83.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.617 0.767 . . . . 0.0 112.867 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.61 -33.79 70.42 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -89.34 -39.97 13.09 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.43 -37.81 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.16 0.984 . . . . 0.0 111.789 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.44 5.21 66.89 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.751 1.46 . . . . 0.0 116.751 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.55 144.1 97.49 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.405 1.603 . . . . 0.0 112.624 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.17 -33.08 19.64 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.718 2.278 . . . . 0.0 113.061 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.61 -29.24 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.475 -0.765 . . . . 0.0 112.43 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.628 HD13 HG12 ' B' ' 47' ' ' ILE . 9.6 mp -68.21 -43.72 77.4 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.921 -1.112 . . . . 0.0 111.202 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.32 86.84 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.419 0.554 . . . . 0.0 111.924 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -57.01 -44.6 82.95 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 168.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.38 -36.12 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.207 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.09 -41.78 88.91 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.763 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -44.48 90.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.425 1.09 . . . . 0.0 111.942 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.07 -48.79 80.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.699 0.799 . . . . 0.0 112.107 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -68.2 -33.77 75.05 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.898 -1.126 . . . . 0.0 112.678 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -60.99 -43.42 98.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.391 1.451 . . . . 0.0 111.348 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.68 -38.54 85.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -58.05 -32.57 68.13 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 117.199 -1.381 . . . . 0.0 113.944 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.9 mm -75.29 -38.54 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 126.19 1.796 . . . . 0.0 110.772 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -43.72 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.097 -1.002 . . . . 0.0 110.478 171.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CG ' HG23 ' B' ' 29' ' ' VAL . 39.5 m0 -64.67 -33.52 76.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.402 0.681 . . . . 0.0 112.689 170.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -60.1 -50.11 74.99 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.519 1.128 . . . . 0.0 111.935 174.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.94 -46.4 88.09 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.533 1.133 . . . . 0.0 110.919 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -31.75 68.62 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -6.4 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -63.86 -15.33 58.67 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.449 1.5 . . . . 0.0 114.193 166.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.331 0 C-N-CA 126.437 1.97 . . . . 0.0 114.5 177.66 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 tpt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 119.298 -0.382 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -85.34 121.63 28.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.059 0.944 . . . . 0.0 111.637 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -155.51 -46.89 0.08 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.652 1.181 . . . . 0.0 112.67 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -64.98 -18.01 64.9 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -66.17 -36.94 84.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.47 1.032 . . . . 0.0 112.162 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.73 -46.69 86.81 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.784 0.834 . . . . 0.0 111.666 167.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 63.9 mt -60.91 -44.93 96.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.326 0.512 . . . . 0.0 111.731 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -56.49 -54.41 46.07 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.691 1.196 . . . . 0.0 112.489 174.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -74.0 -1.69 20.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 mt -96.96 -43.24 7.54 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.25 1.42 . . . . 0.0 111.905 164.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.8 -36.08 72.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.853 1.206 . . . . 0.0 111.856 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.85 -27.18 65.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.3 -0.875 . . . . 0.0 113.209 169.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -75.73 -46.34 31.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.72 0.808 . . . . 0.0 111.627 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.4 51.42 0.25 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.201 2.2 . . . . 0.0 112.206 169.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.73 -50.5 0.11 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.384 1.874 . . . . 0.0 112.072 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -48.69 -45.18 38.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.242 1.017 . . . . 0.0 112.588 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.15 -48.11 63.22 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.262 1.025 . . . . 0.0 111.523 -175.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.415 ' CE1' HD21 ' A' ' 7' ' ' LEU . 25.8 m-85 -58.27 -33.2 69.14 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.215 1.006 . . . . 0.0 113.239 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -6.34 47.58 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.45 -53.95 4.21 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.551 1.069 . . . . 0.0 110.39 170.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.419 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -75.67 -1.16 23.45 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 0.0 114.7 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -54.1 -50.54 66.61 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.196 1.362 . . . . 0.0 114.175 -174.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.31 -22.61 64.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -88.08 -29.61 20.51 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.996 1.319 . . . . 0.0 112.673 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 -42.22 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.383 1.073 . . . . 0.0 111.682 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.19 39.07 53.61 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.61 149.89 49.0 Favored Pre-proline 0 N--CA 1.48 1.059 0 CA-C-N 118.759 1.28 . . . . 0.0 113.013 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.31 -34.37 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.228 2.619 . . . . 0.0 113.21 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.407 HG23 ' CG ' ' A' ' 43' ' ' TRP . 8.5 p -65.11 -28.24 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.275 -0.89 . . . . 0.0 112.285 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.64 -45.26 93.63 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.822 1.649 . . . . 0.0 111.831 173.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.3 95.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.133 0.573 . . . . 0.0 112.338 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -64.58 -36.75 85.23 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.243 -0.911 . . . . 0.0 112.704 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.62 -45.05 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.334 1.054 . . . . 0.0 111.282 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -37.45 83.06 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.706 1.139 . . . . 0.0 111.697 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.49 -36.9 85.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.44 1.496 . . . . 0.0 113.41 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.66 -51.02 60.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.873 0.869 . . . . 0.0 112.225 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.86 -14.77 63.23 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -65.91 -61.81 1.85 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.873 1.269 . . . . 0.0 112.112 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -75.8 -17.59 59.81 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -57.74 -0.66 0.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.276 2.23 . . . . 0.0 115.621 162.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 tp -105.72 -31.51 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 120.676 1.58 . . . . 0.0 110.985 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -71.44 -50.62 29.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.275 1.03 . . . . 0.0 110.152 169.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -61.36 -26.58 67.92 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.926 0.89 . . . . 0.0 113.232 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 53.3 tp -81.05 -28.0 35.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.805 1.242 . . . . 0.0 113.421 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.1 -32.88 74.6 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.411 1.459 . . . . 0.0 110.838 164.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -57.16 -24.65 55.78 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.08 -1.012 . . . . 0.0 113.095 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.628 HG12 HD13 ' A' ' 30' ' ' LEU . 16.0 mt -67.18 -15.27 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 120.086 1.312 . . . . 0.0 114.035 177.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -72.31 -9.47 58.53 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.162 1.785 . . . . 0.0 114.685 -175.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 C-N-CA 124.953 1.263 . . . . 0.0 113.55 177.891 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.69 130.3 42.58 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.513 1.051 . . . . 0.0 111.822 173.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.93 ' CE2' HG23 ' B' ' 25' ' ' VAL . 4.0 t80 -151.52 -67.92 0.18 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.185 1.394 . . . . 0.0 109.803 165.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.47 -28.28 68.46 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -67.53 -45.71 74.92 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.142 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.59 -41.02 84.8 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.202 0.91 . . . . 0.0 111.906 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.858 HD23 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mp -60.68 -56.92 15.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.077 0.951 . . . . 0.0 112.984 171.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.22 -54.48 13.39 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.041 0.837 . . . . 0.0 113.025 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -75.99 3.33 10.52 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.89 -45.83 5.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.785 1.234 . . . . 0.0 111.309 158.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.82 -36.77 59.57 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.658 1.117 . . . . 0.0 112.805 -170.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.1 64.99 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.712 -1.242 . . . . 0.0 112.453 170.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.0 -42.6 98.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.251 0.62 . . . . 0.0 111.045 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.438 ' HB1' HD13 ' B' ' 10' ' ' LEU . . . -65.3 -39.16 92.15 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.804 1.242 . . . . 0.0 113.028 173.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttm -57.54 -42.07 82.19 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.292 0.951 . . . . 0.0 112.833 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.1 -30.69 64.57 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 171.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.83 -35.8 11.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.779 1.232 . . . . 0.0 111.14 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.2 m-85 -61.32 -40.13 93.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.063 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.96 -40.48 97.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 168.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.591 ' HG2' ' OH ' ' B' ' 3' ' ' TYR . 21.7 tt0 -76.77 -49.05 16.85 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.716 0.77 . . . . 0.0 112.452 -171.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.76 -42.15 88.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.133 0.973 . . . . 0.0 111.347 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -56.48 -49.65 74.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.017 0.826 . . . . 0.0 112.444 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.46 -30.23 60.18 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -99.84 -32.05 11.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.2 t -84.3 -34.62 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.826 1.25 . . . . 0.0 111.728 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.45 9.24 87.12 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.165 1.226 . . . . 0.0 116.165 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.22 135.38 44.48 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 119.015 1.408 . . . . 0.0 112.169 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.15 -34.79 21.26 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.818 2.345 . . . . 0.0 112.686 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.15 -34.69 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.325 -0.86 . . . . 0.0 112.139 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.636 ' CD1' HG12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -64.7 -40.08 94.76 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.474 -0.766 . . . . 0.0 111.537 175.741 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.18 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 170.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -67.37 -24.08 65.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.58 -39.29 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.001 0.819 . . . . 0.0 111.649 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -30.42 71.56 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.193 0.906 . . . . 0.0 112.885 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.02 -40.01 75.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.124 1.37 . . . . 0.0 113.065 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.35 -41.29 80.91 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.524 -0.735 . . . . 0.0 112.122 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' OE2' ' CE1' ' B' ' 40' ' ' HIS . 28.3 mm-40 -68.3 -3.67 11.74 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 174.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -84.84 -42.58 14.96 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.446 -1.409 . . . . 0.0 113.069 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -40.77 98.03 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.865 -1.147 . . . . 0.0 110.616 170.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.595 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 2.2 m170 -54.77 -9.41 0.34 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 129.851 3.261 . . . . 0.0 117.216 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.45 -26.67 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.204 1.402 . . . . 0.0 111.691 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.71 -55.75 23.87 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.173 -0.954 . . . . 0.0 110.952 163.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.466 ' CZ3' ' HE3' ' B' ' 32' ' ' LYS . 29.7 m0 -61.12 -33.69 73.78 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.31 0.644 . . . . 0.0 112.236 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -50.63 69.95 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.249 1.42 . . . . 0.0 112.558 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.54 -41.61 96.24 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -57.61 -37.19 72.83 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.598 0.759 . . . . 0.0 112.354 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -65.67 -11.35 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 C-N-CA 125.575 1.55 . . . . 0.0 114.429 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -73.74 -13.27 60.93 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.725 1.21 . . . . 0.0 113.849 170.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 C-N-CA 125.863 1.697 . . . . 0.0 114.06 178.562 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -79.58 61.73 3.66 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.478 1.911 . . . . 0.0 114.157 -171.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.591 ' OH ' ' HG2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -127.77 -67.78 0.81 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.955 1.302 . . . . 0.0 109.97 170.864 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -43.88 -36.03 2.22 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.955 2.502 . . . . 0.0 115.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -66.74 -35.07 79.24 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.268 1.394 . . . . 0.0 113.307 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.04 -36.95 84.63 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.448 1.022 . . . . 0.0 112.331 169.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -45.74 77.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.265 0.484 . . . . 0.0 111.761 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.45 -46.99 66.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.527 1.531 . . . . 0.0 111.954 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -66.16 1.57 1.47 Allowed 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.88 1.808 . . . . 0.0 115.88 172.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.438 HD13 ' HB1' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.94 -45.7 3.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.616 1.967 . . . . 0.0 110.165 173.524 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.487 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 9.6 mm-40 -74.72 -46.33 38.28 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.676 0.79 . . . . 0.0 111.501 -171.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.51 -31.99 72.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.259 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.74 -47.71 84.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.404 1.081 . . . . 0.0 111.785 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -39.27 92.56 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.538 -0.727 . . . . 0.0 112.637 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -37.6 74.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -55.53 -48.32 74.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.122 0.874 . . . . 0.0 111.87 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.18 -39.96 74.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.685 1.194 . . . . 0.0 111.995 -173.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.858 ' CE1' HD23 ' A' ' 7' ' ' LEU . 17.0 m-85 -60.86 -31.47 70.92 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -86.53 -30.5 21.88 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -70.22 -54.3 13.37 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.099 0.952 . . . . 0.0 111.358 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.539 ' CB ' ' CD1' ' A' ' 3' ' ' TYR . . . -80.37 41.17 0.52 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.425 1.89 . . . . 0.0 112.893 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -91.03 -54.37 3.98 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.358 -0.839 . . . . 0.0 111.065 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.51 -29.82 70.83 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -29.89 42.84 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.557 1.143 . . . . 0.0 113.321 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.93 HG23 ' CE2' ' A' ' 3' ' ' TYR . 84.7 t -92.54 -40.56 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.487 0.715 . . . . 0.0 112.458 -175.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.12 36.24 81.01 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 172.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.14 135.06 23.69 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.612 1.165 . . . . 0.0 111.178 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -66.5 -21.8 52.54 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.832 2.355 . . . . 0.0 114.996 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -30.02 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 120.502 1.501 . . . . 0.0 112.581 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.616 HD23 ' OH ' ' A' ' 3' ' ' TYR . 4.8 mp -59.04 -35.05 72.66 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.202 -0.937 . . . . 0.0 112.701 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.21 71.21 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.466 ' HE3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -83.26 -35.64 25.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.569 0.748 . . . . 0.0 110.841 172.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.79 -35.57 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.51 -41.01 75.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.37 1.068 . . . . 0.0 113.248 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.03 -42.27 98.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.202 1.001 . . . . 0.0 111.487 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.595 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 72.0 m-20 -57.94 -50.39 73.54 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.626 0.77 . . . . 0.0 111.38 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -68.83 -28.1 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.472 -0.767 . . . . 0.0 112.625 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.83 -35.68 77.26 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.816 -1.177 . . . . 0.0 113.332 170.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -43.96 77.79 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.81 -1.181 . . . . 0.0 109.987 172.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.442 ' CE1' ' OE2' ' A' ' 37' ' ' GLU . 50.6 m170 -56.38 -33.52 65.81 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.029 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -80.75 -34.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.479 1.912 . . . . 0.0 111.348 -175.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.26 -46.8 72.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.696 0.798 . . . . 0.0 109.872 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -61.84 -30.72 71.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.731 0.813 . . . . 0.0 112.593 171.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -58.53 -55.36 36.0 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.05 0.94 . . . . 0.0 112.684 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -69.58 -29.74 67.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.01 0.924 . . . . 0.0 112.5 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.2 m -62.28 -29.97 70.8 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.364 -0.835 . . . . 0.0 112.156 170.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.636 HG12 ' CD1' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -68.45 -7.02 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -179.278 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.12 -19.14 62.69 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.592 1.557 . . . . 0.0 114.854 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.152 0 C-N-CA 125.314 1.435 . . . . 0.0 113.445 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.317 0.579 . . . . 0.0 111.669 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -171.37 -34.63 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.595 1.158 . . . . 0.0 112.506 -165.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -51.57 -27.02 9.78 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.843 1.257 . . . . 0.0 112.931 170.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.8 mt -51.13 -34.37 30.61 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.87 2.468 . . . . 0.0 112.508 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.32 -43.33 61.06 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.409 -1.432 . . . . 0.0 112.028 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -39.74 92.2 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.367 1.067 . . . . 0.0 112.014 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.27 -54.74 43.57 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.072 1.349 . . . . 0.0 111.446 171.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -51.7 56.43 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.559 0.744 . . . . 0.0 112.965 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -1.74 13.89 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.9 -38.33 7.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.192 0.997 . . . . 0.0 111.485 166.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.45 -44.65 34.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.884 0.874 . . . . 0.0 112.113 -172.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.3 75.02 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.549 -0.719 . . . . 0.0 111.905 172.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.0 89.94 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.733 1.213 . . . . 0.0 112.704 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -45.26 79.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.511 0.724 . . . . 0.0 112.27 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -53.52 -41.74 66.67 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.576 1.151 . . . . 0.0 113.015 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -50.58 -35.91 32.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.823 1.649 . . . . 0.0 114.13 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.3 mt -92.29 -41.16 10.54 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.974 1.71 . . . . 0.0 110.971 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.882 ' CE1' HD21 ' B' ' 7' ' ' LEU . 12.5 m-85 -55.74 -43.15 76.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.583 0.753 . . . . 0.0 111.821 172.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -69.53 -29.45 67.06 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.276 -0.89 . . . . 0.0 113.181 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.49 -45.1 66.32 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.969 0.908 . . . . 0.0 110.699 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.98 76.14 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -62.59 -44.99 94.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.401 -0.812 . . . . 0.0 112.421 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -64.66 -35.99 82.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.627 0.771 . . . . 0.0 113.039 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -67.21 -39.48 86.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -144.53 -57.19 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.574 0.749 . . . . 0.0 111.923 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.27 -65.82 0.57 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.339 1.447 . . . . 0.0 111.502 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 48.87 129.84 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 129.622 3.169 . . . . 0.0 116.554 -172.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.82 -40.51 5.14 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.964 1.776 . . . . 0.0 113.876 -168.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG2' ' CE3' ' B' ' 43' ' ' TRP . 2.6 p -75.17 -25.33 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.714 0.688 . . . . 0.0 112.067 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.54 -42.84 77.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.019 1.327 . . . . 0.0 111.922 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.67 79.01 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.444 -0.785 . . . . 0.0 112.261 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -65.32 -39.38 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.0 0.92 . . . . 0.0 112.927 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mt -60.96 -47.26 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.032 0.933 . . . . 0.0 111.615 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -32.73 74.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.312 0.96 . . . . 0.0 112.192 178.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.4 -39.02 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.377 1.471 . . . . 0.0 112.871 171.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.692 ' CB ' ' HE2' ' B' ' 40' ' ' HIS . 86.2 m-20 -72.1 -41.12 67.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.072 -1.018 . . . . 0.0 112.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -63.93 -6.43 6.07 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 171.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -78.94 -54.33 6.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.24 1.382 . . . . 0.0 112.36 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -53.58 -39.48 64.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.126 0.971 . . . . 0.0 111.36 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.671 ' CE1' HG22 ' B' ' 33' ' ' ILE . 7.9 m170 -57.08 -6.3 0.35 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.941 2.897 . . . . 0.0 117.0 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -110.31 -37.82 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.405 1.457 . . . . 0.0 109.972 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.93 -52.94 62.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.291 -0.881 . . . . 0.0 111.161 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.558 ' CD2' ' CG2' ' B' ' 29' ' ' VAL . 40.6 m0 -59.99 -33.28 71.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.22 0.608 . . . . 0.0 112.18 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.35 -57.17 12.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.412 1.485 . . . . 0.0 112.384 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -31.08 34.26 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.217 1.007 . . . . 0.0 112.299 -178.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.6 m -60.59 -34.99 75.02 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.848 -1.157 . . . . 0.0 111.854 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.13 -8.56 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.36 -20.56 65.62 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.586 -1.321 . . . . 0.0 113.887 166.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.2 0 C-N-CA 126.541 2.02 . . . . 0.0 113.042 176.442 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 ttm . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 119.11 -0.471 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -94.4 91.3 6.6 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.516 1.053 . . . . 0.0 111.825 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -143.96 -51.34 0.31 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.953 1.301 . . . . 0.0 111.863 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pp -48.77 -27.33 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.559 2.344 . . . . 0.0 115.396 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -71.47 -38.06 71.28 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.268 1.827 . . . . 0.0 113.385 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.68 -45.79 85.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 119.15 0.886 . . . . 0.0 111.355 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.882 HD21 ' CE1' ' A' ' 18' ' ' TYR . 1.3 mt -57.61 -42.56 83.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.754 0.706 . . . . 0.0 111.999 176.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.4 -51.88 66.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.428 0.691 . . . . 0.0 112.019 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.75 15.97 0.09 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.711 1.604 . . . . 0.0 115.127 170.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 71.0 mt -125.18 -39.24 2.24 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.529 1.532 . . . . 0.0 111.608 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.37 -51.62 10.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.439 1.096 . . . . 0.0 111.065 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -36.84 84.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.276 1.03 . . . . 0.0 112.953 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.96 -44.44 96.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.392 0.677 . . . . 0.0 111.991 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.4 99.02 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.824 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.88 -40.63 66.75 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.101 1.318 . . . . 0.0 113.87 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -54.18 -50.2 67.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.529 0.731 . . . . 0.0 112.316 172.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt -72.98 -38.21 66.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.619 1.567 . . . . 0.0 111.911 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.94 -44.25 82.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.272 1.429 . . . . 0.0 110.758 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -74.69 -36.17 62.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.986 0.812 . . . . 0.0 111.532 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.59 -46.74 81.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.642 0.777 . . . . 0.0 111.305 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.66 83.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.119 1.368 . . . . 0.0 111.975 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -57.95 -45.65 86.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.171 0.896 . . . . 0.0 112.473 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.31 -20.81 65.82 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -44.22 9.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.472 1.109 . . . . 0.0 112.82 171.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.5 t -84.37 -39.65 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.119 1.367 . . . . 0.0 112.695 -169.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.66 9.25 82.43 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.103 1.335 . . . . 0.0 116.367 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 138.38 83.24 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.546 1.673 . . . . 0.0 112.696 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.28 -35.15 11.58 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.953 2.436 . . . . 0.0 113.209 -173.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.558 ' CG2' ' CD2' ' A' ' 43' ' ' TRP . 9.7 p -67.09 -32.96 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.507 -0.746 . . . . 0.0 111.812 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -41.63 88.34 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.499 -0.751 . . . . 0.0 111.02 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.02 95.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 113.045 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -59.84 -38.95 83.52 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.821 0.848 . . . . 0.0 112.655 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.671 HG22 ' CE1' ' A' ' 40' ' ' HIS . 54.2 mt -61.74 -29.92 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.46 -0.781 . . . . 0.0 113.0 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 31.0 mt -55.79 -41.54 74.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 120.382 1.447 . . . . 0.0 111.389 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -43.52 71.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.594 1.558 . . . . 0.0 113.119 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -44.98 96.51 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.622 -0.674 . . . . 0.0 111.482 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.516 ' OE2' ' CE1' ' A' ' 40' ' ' HIS . 43.8 mm-40 -73.38 -19.8 60.91 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.971 -1.08 . . . . 0.0 113.174 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -45.78 73.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.697 1.135 . . . . 0.0 112.295 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -70.96 -37.72 72.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.367 -0.833 . . . . 0.0 111.354 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.692 ' HE2' ' CB ' ' A' ' 36' ' ' ASP . 26.4 m170 -51.19 -44.64 61.59 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 20.0 tt -83.58 -33.27 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.832 1.653 . . . . 0.0 111.189 -170.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.13 -47.85 82.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.096 0.862 . . . . 0.0 109.831 165.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.435 ' CE3' ' CG2' ' A' ' 29' ' ' VAL . 50.4 m0 -72.05 -34.99 69.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.086 0.954 . . . . 0.0 113.383 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 32.7 tp -66.28 -38.99 89.08 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.513 0.725 . . . . 0.0 111.317 172.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -68.3 -44.99 74.25 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.235 -0.916 . . . . 0.0 111.677 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -58.11 -23.71 55.93 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.33 1.052 . . . . 0.0 113.405 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -5.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -60.61 -19.65 58.47 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 C-N-CA 126.307 1.908 . . . . 0.0 113.433 174.459 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.626 0.727 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 p30 176.26 -20.17 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.922 1.289 . . . . 0.0 114.449 -155.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.416 ' OH ' ' HD2' ' B' ' 24' ' ' ARG . 1.0 OUTLIER 67.08 10.86 8.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.288 2.235 . . . . 0.0 115.492 171.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -34.29 63.6 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.561 1.944 . . . . 0.0 114.803 -170.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -59.21 -43.93 92.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.796 0.839 . . . . 0.0 112.761 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.58 -33.07 75.05 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.944 0.793 . . . . 0.0 112.182 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.93 -45.96 69.47 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 118.507 0.594 . . . . 0.0 110.71 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -50.89 57.36 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.285 1.434 . . . . 0.0 111.652 170.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.88 2.89 0.92 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.9 mt -122.58 -37.32 2.79 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.343 1.457 . . . . 0.0 113.231 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -75.58 -30.56 59.68 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.788 -1.195 . . . . 0.0 111.994 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.15 6.77 7.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.348 1.459 . . . . 0.0 113.595 168.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.31 -44.34 1.58 Allowed 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.833 1.253 . . . . 0.0 111.688 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 59.68 0.06 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.718 0.807 . . . . 0.0 110.059 151.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.0 tpp -158.31 -51.78 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.067 1.747 . . . . 0.0 113.589 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.13 -42.1 98.9 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.297 0.953 . . . . 0.0 112.317 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -31.73 64.94 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.629 0.772 . . . . 0.0 110.968 178.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 1.02 ' CE1' HD21 ' B' ' 7' ' ' LEU . 2.6 m-85 -60.15 -54.89 40.46 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.78 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -60.45 -37.18 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.97 1.259 . . . . 0.0 113.537 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.35 -51.49 69.3 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.607 1.094 . . . . 0.0 111.825 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.7 89.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.986 0.915 . . . . 0.0 112.427 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -64.37 -37.84 88.92 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.494 1.117 . . . . 0.0 113.161 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.51 -28.55 60.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.749 1.219 . . . . 0.0 112.81 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -89.84 -68.11 0.8 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.054 0.941 . . . . 0.0 110.985 169.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.53 -69.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.162 1.785 . . . . 0.0 110.764 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.64 -4.11 3.21 Favored Glycine 0 CA--C 1.544 1.902 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.564 ' CB ' HG12 ' B' ' 47' ' ' ILE . 12.4 t70 70.47 136.04 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 128.182 2.593 . . . . 0.0 111.746 -157.495 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.09 -18.37 50.67 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.831 2.354 . . . . 0.0 115.858 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.935 ' CG1' HD13 ' B' ' 47' ' ' ILE . 3.8 p -65.86 -25.21 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.652 1.569 . . . . 0.0 113.144 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.13 -41.51 88.41 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.933 -1.104 . . . . 0.0 111.594 174.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.12 0.14 1.02 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 172.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -116.96 -31.17 5.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.845 1.658 . . . . 0.0 110.716 172.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.85 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 121.866 -0.521 . . . . 0.0 111.237 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.84 -23.77 66.75 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.92 72.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.298 1.439 . . . . 0.0 112.826 169.552 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.557 ' OD2' ' NE2' ' B' ' 40' ' ' HIS . 90.6 m-20 -59.12 -46.58 87.96 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.375 -0.828 . . . . 0.0 110.932 171.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.51 -12.25 59.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.69 -51.73 18.16 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.79 -1.194 . . . . 0.0 111.485 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.14 -34.55 73.68 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 121.583 -0.698 . . . . 0.0 111.317 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.579 ' CE1' HG22 ' B' ' 33' ' ' ILE . 27.2 m170 -62.32 -5.12 2.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.252 2.221 . . . . 0.0 116.282 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -31.3 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.441 1.496 . . . . 0.0 110.872 176.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.93 -49.98 58.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.683 0.793 . . . . 0.0 111.146 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 30.0 m0 -60.79 -34.55 74.67 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 172.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -58.25 9.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.505 1.122 . . . . 0.0 111.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -68.19 -38.5 82.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.986 0.914 . . . . 0.0 112.356 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.3 m -57.12 -23.5 47.59 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.79 1.236 . . . . 0.0 113.86 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.34 -9.8 9.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 127.158 2.183 . . . . 0.0 110.274 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -90.13 -5.93 55.94 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.669 1.988 . . . . 0.0 112.846 173.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 126.245 1.879 . . . . 0.0 113.965 175.303 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -151.79 152.34 32.55 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.26 1.424 . . . . 0.0 110.752 173.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -51.93 -35.14 44.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.095 1.358 . . . . 0.0 113.022 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.29 -14.58 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -68.66 -38.77 80.67 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.233 1.379 . . . . 0.0 111.104 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.01 -43.69 98.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.303 168.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 1.02 HD21 ' CE1' ' A' ' 18' ' ' TYR . 87.4 mt -56.65 -52.02 66.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.648 1.113 . . . . 0.0 112.058 174.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.05 47.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.347 1.059 . . . . 0.0 112.727 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -74.92 -2.37 26.71 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.4 mt -103.54 -38.08 7.29 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.728 1.611 . . . . 0.0 111.54 167.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.49 -36.0 53.08 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.561 1.073 . . . . 0.0 112.059 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.556 1.071 . . . . 0.0 112.586 169.081 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -54.79 24.84 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.019 0.528 . . . . 0.0 110.602 169.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.86 46.07 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.181 2.192 . . . . 0.0 113.598 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -45.67 0.21 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.903 1.681 . . . . 0.0 111.472 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.85 -51.96 65.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.616 0.766 . . . . 0.0 112.052 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.04 69.12 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.37 -43.56 97.28 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.562 1.074 . . . . 0.0 111.988 -173.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.75 -44.64 86.26 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.5 -48.11 65.29 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.589 1.086 . . . . 0.0 112.547 -172.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.59 91.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.622 1.169 . . . . 0.0 111.272 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -58.64 -43.96 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.261 0.625 . . . . 0.0 112.494 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.21 -25.57 47.7 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.82 1.248 . . . . 0.0 114.054 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 0.416 ' HD2' ' OH ' ' A' ' 3' ' ' TYR . 58.1 mtt180 -104.76 -42.71 5.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.571 1.149 . . . . 0.0 113.723 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.97 -35.34 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.196 1.398 . . . . 0.0 112.054 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 1.68 56.9 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 133.85 91.82 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 119.718 1.759 . . . . 0.0 112.005 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.18 -34.13 10.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.696 2.264 . . . . 0.0 113.489 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 6.2 p -68.84 -29.48 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.27 0.941 . . . . 0.0 112.165 175.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -43.08 95.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.193 0.997 . . . . 0.0 111.213 172.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.09 99.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.028 0.531 . . . . 0.0 112.324 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.82 -34.31 72.89 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.342 1.057 . . . . 0.0 113.013 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.579 HG22 ' CE1' ' A' ' 40' ' ' HIS . 66.0 mt -66.02 -41.66 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.842 -0.599 . . . . 0.0 111.714 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -37.98 84.77 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.397 0.999 . . . . 0.0 111.899 174.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.84 -38.07 89.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.745 1.218 . . . . 0.0 112.276 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -74.59 -33.53 62.66 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -72.06 -13.77 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.232 -1.543 . . . . 0.0 113.315 171.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.23 -53.47 29.89 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.325 0.966 . . . . 0.0 112.392 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -24.69 64.0 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.557 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 14.2 m170 -59.03 -14.77 10.49 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 2.9 tt -115.31 -24.8 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.16 1.384 . . . . 0.0 112.645 -167.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.85 -48.99 76.65 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.439 -0.788 . . . . 0.0 110.042 158.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -60.41 -36.52 78.33 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.484 0.714 . . . . 0.0 112.593 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -57.98 -48.26 80.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.857 1.263 . . . . 0.0 112.443 174.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -65.58 -43.25 90.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.775 1.23 . . . . 0.0 112.214 175.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 98.1 m -55.78 -40.37 72.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.163 0.985 . . . . 0.0 112.403 173.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.935 HD13 ' CG1' ' A' ' 29' ' ' VAL . 36.5 mt -61.72 -13.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.511 1.925 . . . . 0.0 114.835 174.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -109.37 -41.93 4.49 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.607 1.563 . . . . 0.0 114.014 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 C-N-CA 129.159 3.266 . . . . 0.0 116.649 179.328 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.052 0.453 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -157.5 165.54 35.36 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.895 1.278 . . . . 0.0 109.87 172.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 1.123 ' OH ' ' HB3' ' B' ' 20' ' ' GLU . 5.4 t80 61.73 -48.54 0.15 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 128.985 2.914 . . . . 0.0 114.551 -172.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.78 -25.55 68.28 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 127.738 2.415 . . . . 0.0 114.981 -171.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -55.82 -43.23 76.77 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.693 0.797 . . . . 0.0 112.601 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.41 -35.63 76.24 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.206 0.912 . . . . 0.0 112.531 175.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 2.0 mp -71.13 -46.58 61.35 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.565 1.146 . . . . 0.0 112.265 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -48.21 66.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.484 0.713 . . . . 0.0 112.809 169.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -69.02 7.11 0.76 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 173.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.822 HD13 ' HB1' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -122.01 -45.82 2.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.885 2.074 . . . . 0.0 110.449 176.471 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' B' ' 37' ' ' GLU . 5.4 mm-40 -73.97 -48.22 31.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.113 0.965 . . . . 0.0 111.014 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.3 69.88 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.53 -0.731 . . . . 0.0 112.097 174.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.15 -47.27 86.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.837 0.855 . . . . 0.0 111.672 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.61 95.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.454 0.702 . . . . 0.0 112.32 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -40.42 75.41 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.48 1.036 . . . . 0.0 113.446 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -55.95 -46.75 78.45 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.082 0.856 . . . . 0.0 112.358 172.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.471 HD12 ' HB3' ' B' ' 6' ' ' GLU . 65.5 mt -70.74 -41.51 71.73 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.037 0.935 . . . . 0.0 111.601 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.3 -39.41 92.9 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.641 0.776 . . . . 0.0 111.565 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -74.23 -33.86 63.49 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.354 0.979 . . . . 0.0 112.51 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.24 -46.88 81.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.449 0.568 . . . . 0.0 110.8 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' CB ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.92 -42.76 98.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.868 1.267 . . . . 0.0 112.664 172.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -56.05 -51.13 68.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.251 -0.905 . . . . 0.0 112.109 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -71.88 -1.31 13.83 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -114.91 -17.65 11.47 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.812 1.645 . . . . 0.0 114.45 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.5 t -131.6 -32.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.183 0.993 . . . . 0.0 112.96 -172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.11 71.54 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 171.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.07 139.93 95.95 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 119.574 1.687 . . . . 0.0 112.309 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.29 -34.81 9.35 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.783 2.322 . . . . 0.0 113.399 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -71.39 -26.0 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.278 -0.889 . . . . 0.0 112.693 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -39.11 82.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.172 0.989 . . . . 0.0 111.556 172.226 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.38 70.07 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -81.26 -30.71 34.01 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.315 -0.866 . . . . 0.0 113.122 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 ' CD2' ' B' ' 40' ' ' HIS . 95.7 mt -55.63 -45.57 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.716 1.207 . . . . 0.0 111.346 164.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.97 -43.89 91.44 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.297 0.953 . . . . 0.0 112.024 175.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -42.69 99.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.923 1.289 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.406 ' HB2' ' HE2' ' B' ' 40' ' ' HIS . 21.9 m-20 -68.75 -42.71 77.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.236 0.615 . . . . 0.0 111.966 176.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.686 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 50.7 mm-40 -67.19 -26.35 66.58 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.749 -1.219 . . . . 0.0 113.535 173.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.95 -46.18 90.23 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.018 1.735 . . . . 0.0 112.06 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -57.73 -41.44 81.83 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.879 -0.513 . . . . 0.0 111.202 173.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.658 ' CD2' HG12 ' B' ' 33' ' ' ILE . 34.6 m170 -65.08 -13.2 57.41 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.83 -38.88 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.96 1.704 . . . . 0.0 109.663 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.21 -48.65 79.7 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.47 -0.768 . . . . 0.0 111.028 171.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.534 ' CD2' ' CG2' ' B' ' 29' ' ' VAL . 28.4 m0 -63.99 -34.89 79.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.478 0.711 . . . . 0.0 112.423 172.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -59.55 4.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.739 0.816 . . . . 0.0 111.656 176.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.51 -41.73 97.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 111.777 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 m -59.02 -31.15 68.56 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.286 1.034 . . . . 0.0 112.923 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.82 -19.87 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.363 1.065 . . . . 0.0 113.172 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -77.27 -26.27 52.29 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.245 1.418 . . . . 0.0 114.102 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.799 1.666 . . . . 0.0 113.375 173.701 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.0 ttm . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -147.49 -60.42 0.27 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.461 0.705 . . . . 0.0 112.824 -170.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.587 ' CE2' ' CB ' ' A' ' 21' ' ' ALA . 42.5 p90 -147.48 -41.05 0.18 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.578 1.551 . . . . 0.0 110.791 176.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -29.97 -45.79 0.06 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 129.805 3.242 . . . . 0.0 113.958 164.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -73.25 -41.87 63.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.996 1.319 . . . . 0.0 112.911 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.471 ' HB3' HD12 ' A' ' 17' ' ' LEU . 8.0 mt-10 -61.6 -28.13 69.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.273 -0.87 . . . . 0.0 112.113 168.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.02 -55.44 14.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.667 1.121 . . . . 0.0 110.432 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -51.11 63.1 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.359 1.063 . . . . 0.0 113.681 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -73.38 -5.27 38.66 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 54.4 mt -100.26 -40.64 7.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.329 0.513 . . . . 0.0 111.721 165.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.08 -35.34 64.22 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.267 -0.896 . . . . 0.0 112.666 -171.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -31.62 57.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.187 -0.945 . . . . 0.0 112.483 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -40.47 97.65 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.568 -0.707 . . . . 0.0 111.844 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.822 ' HB1' HD13 ' A' ' 10' ' ' LEU . . . -52.38 -44.45 65.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.733 0.813 . . . . 0.0 112.118 172.176 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.83 -40.3 97.0 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -59.49 -44.96 92.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.343 0.657 . . . . 0.0 112.14 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.4 mt -68.51 -40.34 80.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.055 0.942 . . . . 0.0 111.859 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.614 ' CE1' ' CD2' ' A' ' 7' ' ' LEU . 9.5 m-85 -63.33 -42.19 98.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.414 0.686 . . . . 0.0 111.679 177.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -73.61 -26.84 60.98 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.358 0.981 . . . . 0.0 113.221 174.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . 1.123 ' HB3' ' OH ' ' A' ' 3' ' ' TYR . 21.1 tt0 -70.57 -53.48 15.86 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.075 0.852 . . . . 0.0 111.632 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.925 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -56.16 -24.03 38.72 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.764 1.226 . . . . 0.0 113.623 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -37.12 71.74 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.606 1.163 . . . . 0.0 113.513 171.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -23.83 63.78 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -91.58 -42.55 10.15 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.316 1.046 . . . . 0.0 113.512 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 t -135.38 -54.78 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.846 0.748 . . . . 0.0 112.933 -171.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.65 51.32 53.18 Favored Glycine 0 CA--C 1.535 1.341 0 N-CA-C 114.657 0.623 . . . . 0.0 114.657 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.67 148.93 9.0 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.164 0.986 . . . . 0.0 112.193 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.09 -31.54 75.72 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.043 1.829 . . . . 0.0 112.909 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.534 ' CG2' ' CD2' ' A' ' 43' ' ' TRP . 7.1 p -71.88 -28.18 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 174.664 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.53 -41.82 90.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.784 1.234 . . . . 0.0 111.239 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.53 97.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.24 -36.11 83.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.996 0.918 . . . . 0.0 112.897 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.658 HG12 ' CD2' ' A' ' 40' ' ' HIS . 60.5 mt -68.46 -45.63 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.693 0.797 . . . . 0.0 111.771 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -29.16 70.53 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.348 0.976 . . . . 0.0 112.083 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -40.26 96.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.837 1.655 . . . . 0.0 112.739 170.153 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.597 ' HB2' ' HE2' ' A' ' 40' ' ' HIS . 71.8 m-20 -75.13 -37.06 61.55 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.191 -0.943 . . . . 0.0 112.649 175.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.741 ' OE2' 'ZN ' ' A' ' 50' ' ' ' ZN' . 32.5 mm-40 -65.0 -13.82 58.81 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.315 -0.866 . . . . 0.0 113.158 169.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.18 -49.09 53.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.143 1.338 . . . . 0.0 111.861 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -42.07 61.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.582 0.753 . . . . 0.0 111.133 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.552 ' CD2' HG12 ' A' ' 33' ' ' ILE . 33.0 m170 -66.94 -1.87 4.57 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 116.215 1.932 . . . . 0.0 116.215 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -111.71 -40.09 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.323 1.449 . . . . 0.0 110.184 173.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -48.92 74.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.307 -0.87 . . . . 0.0 111.735 173.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -64.76 -29.34 70.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.474 0.71 . . . . 0.0 112.475 173.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -59.82 4.8 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.314 1.446 . . . . 0.0 111.646 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.68 -33.96 76.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.5 1.12 . . . . 0.0 111.51 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.9 m -60.49 -22.13 63.19 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.516 1.126 . . . . 0.0 113.484 170.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.35 -6.98 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.818 1.647 . . . . 0.0 114.245 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.24 -10.82 60.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.374 1.47 . . . . 0.0 114.532 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.206 0 C-N-CA 125.471 1.51 . . . . 0.0 112.981 -178.342 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . 0.741 'ZN ' ' OE2' ' B' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . 0.686 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 121.278 0.561 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -147.56 -177.29 5.62 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.179 2.192 . . . . 0.0 109.326 -170.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' B' ' 21' ' ' ALA 0.253 1.8 p90 48.49 -7.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 171.184 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -56.2 -19.15 12.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.919 2.487 . . . . 0.0 115.321 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -58.4 -34.28 70.57 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.0 -1.062 . . . . 0.0 113.842 171.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.1 -38.32 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.005 1.275 . . . . 0.0 112.488 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.3 -55.86 29.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.246 1.419 . . . . 0.0 110.75 167.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -50.11 43.45 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.246 0.546 . . . . 0.0 112.294 176.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -66.89 -3.63 7.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -113.76 -35.73 5.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.915 1.286 . . . . 0.0 112.096 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.37 -40.31 70.68 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.89 1.276 . . . . 0.0 112.179 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -79.55 -18.77 51.05 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.207 -0.933 . . . . 0.0 113.453 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -72.81 -43.86 62.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.06 -1.025 . . . . 0.0 110.786 166.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 47.85 0.16 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.876 2.07 . . . . 0.0 112.924 165.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.2 tpp -153.35 -53.36 0.11 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.217 1.807 . . . . 0.0 111.265 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -59.83 -43.51 94.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.732 0.696 . . . . 0.0 111.648 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -70.41 -42.45 71.64 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.054 1.341 . . . . 0.0 111.672 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.405 ' CE2' HD22 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -64.39 -27.97 69.37 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.656 0.783 . . . . 0.0 112.618 178.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -95.37 -17.37 21.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 -56.44 6.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.189 0.904 . . . . 0.0 111.217 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 50.45 1.15 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.114 1.766 . . . . 0.0 113.524 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -105.64 -50.9 3.1 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.959 0.904 . . . . 0.0 111.399 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.81 -38.17 90.12 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -72.54 -33.84 67.13 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.36 -41.3 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 118.474 0.579 . . . . 0.0 112.485 -171.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.43 -12.63 9.64 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 171.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -66.96 136.72 94.43 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-N 119.802 1.801 . . . . 0.0 112.799 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.29 -29.41 7.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.998 2.465 . . . . 0.0 113.875 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.77 -27.82 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 120.999 -1.063 . . . . 0.0 112.746 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.38 -41.35 93.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.775 1.63 . . . . 0.0 112.009 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.77 73.29 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.61 -0.681 . . . . 0.0 112.692 170.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -65.0 -34.75 79.18 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.098 -1.001 . . . . 0.0 112.79 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.7 -49.92 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.327 1.051 . . . . 0.0 111.611 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.289 1.7 pp -64.85 -17.35 64.2 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.873 1.67 . . . . 0.0 113.594 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -79.21 -43.85 23.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.549 1.539 . . . . 0.0 113.919 165.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.52 -46.11 84.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.014 1.326 . . . . 0.0 112.777 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.89 -10.43 53.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.37 -48.07 52.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 112.278 170.428 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -59.43 -37.46 78.15 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -62.89 -11.46 18.51 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -107.17 -38.86 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 126.837 2.055 . . . . 0.0 109.596 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.13 -45.97 92.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.074 -1.016 . . . . 0.0 111.682 172.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -64.62 -32.59 74.31 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.885 0.874 . . . . 0.0 112.411 171.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -50.74 68.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.707 1.203 . . . . 0.0 112.064 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.24 -39.6 90.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.228 1.411 . . . . 0.0 111.871 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -60.37 -36.05 77.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.552 0.741 . . . . 0.0 112.264 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mt -75.29 -12.49 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.617 1.567 . . . . 0.0 113.777 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -71.67 -10.15 59.34 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.826 1.25 . . . . 0.0 113.987 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 C-N-CA 125.881 1.705 . . . . 0.0 114.137 179.46 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.44 168.55 10.6 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.582 0.628 . . . . 0.0 111.358 168.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -147.79 -50.95 0.18 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.526 0.73 . . . . 0.0 111.099 164.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -32.15 2.89 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 115.156 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -58.13 -42.67 86.32 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.615 -1.303 . . . . 0.0 114.043 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -64.67 -28.01 69.31 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.961 1.255 . . . . 0.0 112.417 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.405 HD22 ' CE2' ' A' ' 18' ' ' TYR . 2.5 mp -74.26 -44.44 52.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.269 1.028 . . . . 0.0 111.397 174.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -53.92 -50.13 67.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.86 1.264 . . . . 0.0 112.256 171.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.83 8.05 1.7 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.301 1.44 . . . . 0.0 114.772 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -114.31 -42.68 3.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.235 1.014 . . . . 0.0 112.333 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.34 -43.61 73.31 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.31 0.959 . . . . 0.0 111.961 -174.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.5 -31.91 65.74 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.229 -0.919 . . . . 0.0 113.024 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.11 -43.55 98.71 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.898 0.879 . . . . 0.0 112.02 173.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.6 74.54 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.802 -0.561 . . . . 0.0 111.945 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.0 tpp -51.0 -41.69 59.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.763 1.225 . . . . 0.0 113.303 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -54.31 -40.77 68.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -79.75 -44.54 20.53 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 125.098 1.359 . . . . 0.0 111.178 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.4 -39.37 67.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.884 1.274 . . . . 0.0 112.21 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -79.77 -24.9 41.18 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -79.92 -51.19 9.4 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.738 0.78 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.413 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -76.43 -15.96 59.8 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -171.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -52.62 -49.67 64.63 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.142 1.337 . . . . 0.0 113.837 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -68.38 -12.29 60.91 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -102.16 -35.5 8.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.35 1.46 . . . . 0.0 112.752 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.15 -39.7 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.887 0.875 . . . . 0.0 111.315 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.27 -20.78 3.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.216 1.389 . . . . 0.0 115.934 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.07 126.45 89.06 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 119.25 1.525 . . . . 0.0 111.671 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.96 -21.36 27.99 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.876 2.384 . . . . 0.0 115.036 -172.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -24.36 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.387 1.449 . . . . 0.0 112.593 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.93 -39.18 74.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.481 1.512 . . . . 0.0 112.17 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.05 85.17 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.52 -0.738 . . . . 0.0 112.938 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.7 -35.47 81.14 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.996 0.918 . . . . 0.0 112.362 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.24 -47.56 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 111.49 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -32.31 72.23 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.361 0.982 . . . . 0.0 112.383 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.88 -42.0 99.61 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.034 1.334 . . . . 0.0 112.759 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -65.42 -47.72 75.26 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.547 0.739 . . . . 0.0 111.403 171.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.99 -26.41 64.07 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.37 -52.2 49.25 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.366 1.439 . . . . 0.0 111.689 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.31 -37.09 69.45 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.713 1.605 . . . . 0.0 112.883 174.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -57.54 -29.42 64.36 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 117.344 -1.312 . . . . 0.0 114.205 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 35.1 mm -75.74 -34.12 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.376 1.871 . . . . 0.0 110.949 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.64 -47.08 82.79 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 171.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -61.61 -31.19 71.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.733 0.813 . . . . 0.0 112.729 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.3 -49.97 73.51 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.72 0.808 . . . . 0.0 112.522 177.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.47 -33.65 76.04 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.609 -0.682 . . . . 0.0 111.734 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.3 m -55.99 -24.76 40.68 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.0 -1.063 . . . . 0.0 113.365 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.46 -10.11 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 120.157 1.344 . . . . 0.0 113.223 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -69.47 -13.37 62.31 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.332 1.853 . . . . 0.0 114.025 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 C-N-CA 126.089 1.804 . . . . 0.0 114.207 -178.858 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttp . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 119.615 -0.231 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 42.06 45.11 3.31 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.599 1.96 . . . . 0.0 116.084 166.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 1.149 ' CZ ' ' CB ' ' B' ' 21' ' ' ALA . 38.6 t80 -144.51 -69.16 0.3 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.267 1.027 . . . . 0.0 112.173 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 mp -55.82 -31.36 62.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.535 1.534 . . . . 0.0 114.683 -169.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -54.29 -40.19 67.66 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.477 1.111 . . . . 0.0 113.263 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.9 -34.83 79.03 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.227 0.921 . . . . 0.0 111.798 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.579 HD21 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -71.38 -42.21 68.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.121 0.968 . . . . 0.0 112.086 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -51.02 34.27 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.739 0.816 . . . . 0.0 112.413 163.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.0 8.32 0.76 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 174.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' CD1' HD11 ' B' ' 17' ' ' LEU . 83.0 mt -118.8 -42.14 2.74 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.915 1.686 . . . . 0.0 111.284 169.068 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.9 -47.2 39.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.723 1.209 . . . . 0.0 111.866 -174.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.88 -33.74 74.27 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.396 -0.815 . . . . 0.0 112.085 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -60.61 -48.98 79.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.258 1.023 . . . . 0.0 111.706 172.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.75 96.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.54 0.736 . . . . 0.0 112.439 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 tpp -53.84 -44.41 70.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.952 0.901 . . . . 0.0 112.811 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -54.12 -40.24 67.17 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.527 1.131 . . . . 0.0 112.602 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.413 HD11 ' CD1' ' B' ' 10' ' ' LEU . 71.4 mt -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.052 1.341 . . . . 0.0 112.032 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.527 ' CE1' HD23 ' B' ' 7' ' ' LEU . 11.7 m-85 -66.66 -31.65 72.47 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.315 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -72.39 -33.72 67.4 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.873 1.215 . . . . 0.0 114.01 166.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.23 -53.7 15.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.511 1.124 . . . . 0.0 111.42 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.27 -9.65 58.47 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.869 1.267 . . . . 0.0 114.231 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -56.13 -51.08 69.23 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.627 1.103 . . . . 0.0 113.412 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -61.78 -36.53 81.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.931 0.892 . . . . 0.0 112.159 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -80.28 -28.62 38.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.454 1.102 . . . . 0.0 113.632 -176.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.671 HG21 ' OH ' ' B' ' 3' ' ' TYR . 78.1 t -93.42 -44.98 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.339 1.056 . . . . 0.0 111.792 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.05 -10.03 4.82 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.29 139.72 97.6 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 119.885 1.843 . . . . 0.0 112.205 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.96 -27.29 12.28 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.883 2.389 . . . . 0.0 113.443 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -68.12 -20.12 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.863 1.21 . . . . 0.0 113.324 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.06 -35.19 66.68 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.953 -1.092 . . . . 0.0 112.455 167.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.87 78.5 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.833 0.742 . . . . 0.0 112.593 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.72 -39.69 56.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.835 0.854 . . . . 0.0 112.204 174.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.0 -49.03 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.747 0.819 . . . . 0.0 110.309 173.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.06 -44.13 78.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.882 1.273 . . . . 0.0 112.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -42.13 92.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.333 1.453 . . . . 0.0 111.971 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.83 -46.45 81.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.053 0.541 . . . . 0.0 111.651 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -64.82 -20.64 66.5 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.73 -47.32 75.7 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.442 1.474 . . . . 0.0 112.232 171.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.67 -35.29 74.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.498 0.719 . . . . 0.0 111.379 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.05 -3.21 12.27 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mm -113.62 -37.79 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.718 1.607 . . . . 0.0 109.967 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.59 -48.66 78.77 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.328 -0.857 . . . . 0.0 111.479 171.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -75.36 -30.33 60.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.653 0.781 . . . . 0.0 112.737 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.5 -59.29 4.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.429 1.092 . . . . 0.0 111.163 168.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.13 -42.76 91.4 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.4 1.08 . . . . 0.0 111.996 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 m -59.48 -43.54 93.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.932 0.893 . . . . 0.0 112.307 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -22.1 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.632 1.173 . . . . 0.0 113.432 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -73.12 -11.51 60.56 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.439 1.896 . . . . 0.0 113.736 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.587 2.041 . . . . 0.0 114.755 175.87 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -138.81 -17.51 1.09 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -159.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.671 ' OH ' HG21 ' A' ' 25' ' ' VAL . 45.4 p90 -74.56 -23.19 58.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.976 1.31 . . . . 0.0 114.39 -173.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.64 -36.94 85.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.546 1.539 . . . . 0.0 112.722 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -68.72 -42.1 78.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.001 0.921 . . . . 0.0 112.375 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -59.34 -40.58 86.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.971 0.805 . . . . 0.0 111.001 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.527 HD23 ' CE1' ' A' ' 18' ' ' TYR . 2.1 mp -55.5 -55.17 34.94 Favored 'General case' 0 N--CA 1.461 0.108 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 171.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -48.15 -52.34 21.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 168.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.04 5.81 0.85 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.413 ' CD1' HD11 ' A' ' 17' ' ' LEU . 82.1 mt -118.06 -44.92 2.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.176 1.79 . . . . 0.0 111.657 169.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.13 -45.71 63.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.92 0.782 . . . . 0.0 111.285 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -35.33 79.76 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.438 -0.789 . . . . 0.0 112.85 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -58.65 -49.1 78.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.839 0.856 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.84 92.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -49.03 70.46 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -59.05 -33.0 70.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.539 1.136 . . . . 0.0 112.931 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.514 HD11 ' CD1' ' A' ' 10' ' ' LEU . 79.4 mt -83.66 -39.22 20.49 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.864 1.666 . . . . 0.0 112.273 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.579 ' CD1' HD21 ' A' ' 7' ' ' LEU . 3.9 m-85 -64.87 -41.65 95.48 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.337 0.398 . . . . 0.0 110.237 -175.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.87 -36.43 83.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.2 -50.24 74.79 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.139 0.975 . . . . 0.0 111.288 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 1.149 ' CB ' ' CZ ' ' A' ' 3' ' ' TYR . . . -69.68 -41.6 75.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.076 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t -54.66 -45.19 73.79 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.054 1.297 . . . . 0.0 112.681 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -64.27 -2.9 2.39 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.761 1.625 . . . . 0.0 115.266 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -125.65 -39.37 2.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.599 1.56 . . . . 0.0 113.247 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.7 t -83.63 -37.33 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.022 1.729 . . . . 0.0 111.741 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.78 1.47 54.49 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.085 1.594 . . . . 0.0 117.085 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.93 136.56 95.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 119.917 1.859 . . . . 0.0 112.268 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.53 -36.05 9.39 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.657 2.238 . . . . 0.0 113.59 -171.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.47 -23.42 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.548 1.067 . . . . 0.0 112.679 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -42.87 99.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 111.387 169.324 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.59 88.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.532 -0.73 . . . . 0.0 112.284 170.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -60.65 -36.51 78.86 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.934 -1.104 . . . . 0.0 112.995 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.083 0.553 . . . . 0.0 110.763 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -25.69 62.59 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.9 -35.06 77.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.229 1.412 . . . . 0.0 112.38 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -71.1 -43.75 67.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.974 0.51 . . . . 0.0 111.952 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -62.26 -23.53 66.74 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -57.76 -43.53 85.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.151 0.98 . . . . 0.0 112.356 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -42.31 99.05 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.085 0.554 . . . . 0.0 110.945 172.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -67.98 -9.52 46.17 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 tp -114.79 -33.16 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.081 1.753 . . . . 0.0 110.465 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.6 -51.83 66.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.041 0.936 . . . . 0.0 111.36 167.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -67.32 -31.25 71.41 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.464 0.706 . . . . 0.0 112.632 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.52 -52.9 60.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.383 1.073 . . . . 0.0 111.883 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.58 -43.6 84.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.652 1.181 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.9 m -61.14 -44.92 96.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.208 1.003 . . . . 0.0 111.98 172.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.17 -16.54 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.401 1.481 . . . . 0.0 113.585 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -100.59 11.3 39.78 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.596 2.358 . . . . 0.0 113.192 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.201 0 C-N-CA 125.533 1.54 . . . . 0.0 113.532 176.441 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mtm . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 120.919 0.39 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -167.48 -34.11 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.179 1.392 . . . . 0.0 112.98 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.764 ' CE2' ' HB1' ' B' ' 21' ' ' ALA . 51.0 p90 -49.99 -19.84 0.8 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.115 2.166 . . . . 0.0 115.763 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.75 -21.07 44.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.065 1.746 . . . . 0.0 114.884 179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.7 ttt-85 -60.96 -40.15 92.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.023 0.829 . . . . 0.0 110.838 160.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -12.16 58.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.135 1.774 . . . . 0.0 114.725 170.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 12.6 mt -95.42 -47.16 6.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.1 1.36 . . . . 0.0 111.539 171.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -47.89 62.32 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.477 1.511 . . . . 0.0 112.646 173.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -3.85 2.39 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 173.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.719 HD13 ' HB1' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -120.59 -42.53 2.53 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.245 1.818 . . . . 0.0 111.418 -177.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.59 -45.54 58.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.144 1.338 . . . . 0.0 111.393 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.49 62.34 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.443 -0.785 . . . . 0.0 112.575 174.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -45.6 80.0 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.325 -0.859 . . . . 0.0 111.38 168.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.1 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.045 0.938 . . . . 0.0 112.531 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 ttm -52.52 -45.1 66.14 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.88 1.218 . . . . 0.0 112.327 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -58.18 -29.42 65.62 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.704 1.602 . . . . 0.0 113.293 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.0 mt -93.36 -35.74 12.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.594 1.557 . . . . 0.0 111.432 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.523 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.4 m-85 -55.55 -48.94 73.93 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.423 0.556 . . . . 0.0 110.998 171.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -66.71 -34.28 77.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.67 -47.53 31.24 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.516 0.674 . . . . 0.0 111.746 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB1' ' CE1' ' B' ' 3' ' ' TYR . . . -58.61 -42.84 89.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.432 1.093 . . . . 0.0 111.734 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -53.09 -43.07 66.5 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.143 0.883 . . . . 0.0 113.292 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.45 63.85 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -106.01 -38.02 6.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.667 1.187 . . . . 0.0 113.637 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.31 -36.2 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.2 1.4 . . . . 0.0 111.564 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.23 7.59 72.46 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 116.427 1.331 . . . . 0.0 116.427 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -81.44 137.02 48.56 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 119.457 1.629 . . . . 0.0 112.453 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.81 -33.71 15.86 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.99 2.46 . . . . 0.0 113.17 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.23 -25.58 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.256 -0.903 . . . . 0.0 112.491 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.66 -43.08 94.76 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.537 172.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.61 89.36 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.416 -0.802 . . . . 0.0 112.334 172.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.75 -30.17 71.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.71 0.804 . . . . 0.0 113.104 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.1 mt -69.99 -40.52 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.391 0.541 . . . . 0.0 111.954 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -29.35 70.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 118.893 0.769 . . . . 0.0 112.255 173.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -40.26 78.14 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.632 -1.292 . . . . 0.0 113.571 171.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.51 -45.1 66.24 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.192 -0.942 . . . . 0.0 112.431 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -64.61 -12.3 44.08 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 0.0 112.63 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.85 -51.22 42.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.319 -1.488 . . . . 0.0 111.486 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.66 -35.48 76.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.033 0.533 . . . . 0.0 111.768 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.483 ' CE1' HG22 ' B' ' 33' ' ' ILE . 29.4 m170 -57.73 -22.52 47.04 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.174 -1.393 . . . . 0.0 114.288 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.45 -42.22 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.653 1.981 . . . . 0.0 111.146 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.69 -43.69 98.38 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.101 -1.0 . . . . 0.0 110.593 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -65.96 -32.25 73.64 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.437 0.695 . . . . 0.0 112.657 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -58.57 7.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.404 1.002 . . . . 0.0 111.617 172.083 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.31 -39.88 94.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.726 1.21 . . . . 0.0 111.385 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.18 -43.77 92.18 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.913 0.885 . . . . 0.0 112.431 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.15 -8.15 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -75.99 -12.31 60.11 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.266 1.826 . . . . 0.0 113.169 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.206 1.86 . . . . 0.0 114.423 176.318 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -156.21 -47.28 0.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.438 ' CE1' ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -126.64 -53.18 1.46 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.053 0.941 . . . . 0.0 111.047 -172.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.1 -25.63 32.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.151 1.38 . . . . 0.0 113.708 167.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -48.71 55.31 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.117 0.967 . . . . 0.0 111.707 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.85 -40.27 66.36 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.29 0.95 . . . . 0.0 111.448 170.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.29 -51.66 55.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.401 1.08 . . . . 0.0 112.697 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.87 -49.19 20.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.323 1.849 . . . . 0.0 112.663 167.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -74.44 4.24 6.27 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.57 -41.41 5.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 111.672 162.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.523 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 7.9 mm-40 -69.28 -46.34 67.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.72 -36.02 77.88 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.013 -1.055 . . . . 0.0 111.571 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -57.93 -47.41 82.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.58 1.152 . . . . 0.0 111.836 170.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.719 ' HB1' HD13 ' A' ' 10' ' ' LEU . . . -58.15 -50.95 71.73 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.293 1.037 . . . . 0.0 111.395 173.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.29 -39.37 72.57 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.816 0.846 . . . . 0.0 113.055 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -54.82 -39.61 68.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.289 1.036 . . . . 0.0 113.194 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -85.78 -43.75 13.07 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 126.694 1.997 . . . . 0.0 111.421 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.58 -48.22 66.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.458 1.103 . . . . 0.0 111.603 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -28.04 62.4 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -62.88 -49.78 73.5 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.254 0.934 . . . . 0.0 110.675 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.764 ' HB1' ' CE2' ' A' ' 3' ' ' TYR . . . -60.25 -35.89 76.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.167 0.987 . . . . 0.0 112.834 172.444 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -42.51 96.44 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.41 -0.806 . . . . 0.0 112.97 173.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.61 -35.48 80.3 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.468 -0.77 . . . . 0.0 112.866 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -77.61 -27.08 51.09 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t -143.82 -56.17 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 124.831 1.252 . . . . 0.0 112.273 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.68 38.5 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.5 0.96 . . . . 0.0 115.5 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 150.62 15.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 118.067 0.933 . . . . 0.0 113.056 173.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.07 -41.03 10.43 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.437 2.091 . . . . 0.0 113.111 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.95 -28.26 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.288 -0.883 . . . . 0.0 112.206 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -49.96 75.82 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.759 0.823 . . . . 0.0 110.232 169.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.29 84.4 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -64.45 -25.17 67.89 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.483 HG22 ' CE1' ' A' ' 40' ' ' HIS . 30.3 mt -76.41 -46.03 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 118.304 0.502 . . . . 0.0 112.112 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.9 mt -59.52 -27.75 66.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.892 0.877 . . . . 0.0 112.454 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.84 -38.92 79.78 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.167 1.787 . . . . 0.0 112.569 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -79.75 -47.87 14.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 111.442 171.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.62 -23.61 65.38 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.068 1.747 . . . . 0.0 114.239 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.2 -38.62 66.04 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.304 1.042 . . . . 0.0 112.586 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -79.31 -31.12 43.13 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.579 1.951 . . . . 0.0 111.427 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -43.67 -34.93 1.61 Allowed 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 126.899 2.08 . . . . 0.0 114.663 170.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.8 mm -74.62 -38.58 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 128.353 2.661 . . . . 0.0 111.665 -177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.24 -45.41 91.7 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.443 -0.785 . . . . 0.0 109.744 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -65.96 -32.74 74.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.0 -52.14 67.05 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.482 1.037 . . . . 0.0 112.084 176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.24 -40.1 96.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.841 0.856 . . . . 0.0 111.61 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -58.98 -31.28 68.62 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.077 0.951 . . . . 0.0 112.851 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -9.71 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -69.29 -11.35 60.74 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.688 1.595 . . . . 0.0 114.519 175.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.461 0 C-N-CA 126.84 2.162 . . . . 0.0 115.61 179.176 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 119.315 -0.374 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -161.57 -46.17 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.662 0.665 . . . . 0.0 112.647 160.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.756 ' CG ' ' HB3' ' B' ' 21' ' ' ALA . 59.1 m-85 -48.72 -53.48 18.74 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.649 1.18 . . . . 0.0 112.306 -174.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -45.46 -29.7 1.19 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.217 2.207 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -67.47 -43.1 81.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.551 1.523 . . . . 0.0 113.325 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.04 -40.08 92.26 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.829 1.195 . . . . 0.0 111.565 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.803 HD21 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mt -68.74 -45.59 71.06 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.124 0.569 . . . . 0.0 111.91 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -55.16 -47.79 74.64 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.533 1.06 . . . . 0.0 112.226 171.44 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -70.63 9.8 0.59 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.861 1.664 . . . . 0.0 114.452 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.2 mt -125.05 -46.66 1.81 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.06 1.744 . . . . 0.0 112.041 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.39 -53.98 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.623 1.569 . . . . 0.0 110.878 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.38 -38.33 83.56 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.18 -0.95 . . . . 0.0 112.748 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -34.91 78.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.535 ' CB ' HD23 ' B' ' 10' ' ' LEU . . . -75.19 -34.39 61.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.249 1.02 . . . . 0.0 113.203 172.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -30.06 61.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.192 0.905 . . . . 0.0 112.307 178.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -56.4 -51.47 68.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.573 1.149 . . . . 0.0 113.25 167.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.9 mt -70.43 -42.72 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.125 1.37 . . . . 0.0 111.76 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.29 -39.48 69.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.761 1.624 . . . . 0.0 111.86 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.02 -27.27 33.16 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.226 0.921 . . . . 0.0 112.801 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -71.59 -45.74 61.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.12 0.968 . . . . 0.0 111.809 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.08 73.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.921 0.888 . . . . 0.0 112.743 170.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.652 0.781 . . . . 0.0 112.222 173.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.21 -26.31 67.33 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -81.46 -38.48 26.32 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 171.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -138.29 -60.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.004 0.922 . . . . 0.0 112.74 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.03 53.0 28.92 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-N 118.683 0.674 . . . . 0.0 114.232 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.9 153.94 5.52 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.329 1.051 . . . . 0.0 113.161 172.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.16 -37.89 13.5 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.491 2.128 . . . . 0.0 112.981 -170.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -26.67 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.784 -0.573 . . . . 0.0 112.184 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.44 89.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.267 1.027 . . . . 0.0 110.481 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.85 76.63 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.55 -38.41 90.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.921 0.888 . . . . 0.0 112.457 172.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.446 HG22 ' CE1' ' B' ' 40' ' ' HIS . 68.4 mt -66.46 -39.84 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.399 1.08 . . . . 0.0 112.796 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -45.6 63.97 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.422 1.464 . . . . 0.0 110.522 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -41.2 81.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.453 1.501 . . . . 0.0 113.252 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.36 -44.86 95.48 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.627 -0.67 . . . . 0.0 111.782 171.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' OE2' ' CE1' ' B' ' 40' ' ' HIS . 24.0 mm-40 -71.79 -19.74 61.96 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.162 -0.962 . . . . 0.0 112.847 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.28 -50.76 64.51 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.838 -1.164 . . . . 0.0 112.217 170.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -38.43 82.01 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.853 -1.155 . . . . 0.0 111.675 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -65.21 -1.93 2.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 tp -108.95 -33.42 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.705 1.602 . . . . 0.0 111.187 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.27 -54.8 15.11 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.987 -0.446 . . . . 0.0 109.907 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.538 ' CD2' HG23 ' B' ' 29' ' ' VAL . 28.9 m0 -58.13 -37.51 74.74 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.206 0.602 . . . . 0.0 112.463 176.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -47.29 -55.27 9.05 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.207 1.403 . . . . 0.0 112.966 -177.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -89.01 -39.11 13.91 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 112.154 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.1 m -58.58 -19.04 34.87 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.608 1.163 . . . . 0.0 113.489 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' B' ' 27' ' ' ASP . 5.0 mt -54.19 -22.68 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.189 1.396 . . . . 0.0 113.857 168.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.52 15.22 1.81 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.484 1.914 . . . . 0.0 113.618 -178.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.291 0 C-N-CA 126.69 2.091 . . . . 0.0 114.901 -176.447 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtp . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -130.83 120.87 24.34 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.593 1.157 . . . . 0.0 111.245 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.8 -68.82 0.35 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.169 1.388 . . . . 0.0 108.921 171.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -37.16 2.53 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.86 2.064 . . . . 0.0 114.6 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -54.55 -45.11 73.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.406 1.912 . . . . 0.0 113.897 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -16.55 62.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.325 1.05 . . . . 0.0 113.49 177.088 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 mp -96.44 -44.29 7.26 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.6 1.16 . . . . 0.0 111.745 174.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.93 -50.99 62.9 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.571 1.548 . . . . 0.0 111.994 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -74.03 5.63 4.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.535 HD23 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -106.19 -46.73 3.99 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 127.355 2.262 . . . . 0.0 108.558 169.373 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -77.79 -40.33 40.99 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.006 0.821 . . . . 0.0 110.086 -166.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -34.56 77.27 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.9 0.88 . . . . 0.0 112.253 170.378 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -51.36 54.71 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.955 1.302 . . . . 0.0 112.068 175.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.37 89.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.728 1.211 . . . . 0.0 111.968 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -54.53 -45.74 73.45 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.715 1.143 . . . . 0.0 112.465 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -53.23 -44.99 68.53 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.909 0.777 . . . . 0.0 112.308 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.7 mt -72.45 -44.49 62.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.33 1.052 . . . . 0.0 111.387 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.803 ' CE1' HD21 ' A' ' 7' ' ' LEU . 4.1 m-85 -54.05 -41.14 67.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.834 1.654 . . . . 0.0 112.052 175.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -80.85 -28.27 36.14 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -76.41 -51.34 12.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 122.371 1.081 . . . . 0.0 111.374 -177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.756 ' HB3' ' CG ' ' A' ' 3' ' ' TYR . . . -74.43 48.12 0.33 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.313 2.245 . . . . 0.0 113.927 175.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -109.67 -50.68 2.96 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.377 -0.827 . . . . 0.0 111.791 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.14 -35.03 79.83 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -76.34 -37.17 57.7 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.44 -43.8 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.528 0.604 . . . . 0.0 112.177 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.75 43.78 97.25 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 115.374 0.91 . . . . 0.0 115.374 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.429 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -115.11 137.95 23.23 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 118.501 1.15 . . . . 0.0 112.154 -178.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.98 -32.2 11.43 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.773 2.316 . . . . 0.0 112.504 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.538 HG23 ' CD2' ' A' ' 43' ' ' TRP . 8.9 p -64.41 -31.89 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 121.699 -0.626 . . . . 0.0 111.861 175.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -40.92 83.27 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.739 -1.226 . . . . 0.0 112.743 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.03 86.3 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.438 0.695 . . . . 0.0 112.676 172.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -61.59 -37.12 82.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.878 1.271 . . . . 0.0 112.379 174.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 44.3 mt -66.13 -35.99 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.262 1.425 . . . . 0.0 111.895 175.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -33.65 72.74 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.429 1.468 . . . . 0.0 112.947 172.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -43.84 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.985 1.314 . . . . 0.0 112.846 173.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.92 -47.17 75.65 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.381 -0.825 . . . . 0.0 112.161 176.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -67.69 -10.69 54.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.742 0.817 . . . . 0.0 112.946 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -73.33 -53.27 11.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.13 -0.981 . . . . 0.0 112.531 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -32.96 74.44 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.892 -1.13 . . . . 0.0 112.314 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.446 ' CE1' HG22 ' A' ' 33' ' ' ILE . 2.3 m170 -58.48 -1.31 0.13 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 130.343 3.457 . . . . 0.0 118.097 175.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -117.22 -26.08 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 120.451 1.478 . . . . 0.0 110.935 173.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.08 -55.5 8.09 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.79 0.836 . . . . 0.0 110.208 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -59.75 -34.06 72.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.873 0.869 . . . . 0.0 112.254 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tt -51.11 -51.04 57.36 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.004 1.722 . . . . 0.0 112.789 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -75.74 -32.23 59.91 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 50.5 m -55.18 -30.51 60.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.705 0.802 . . . . 0.0 112.731 172.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mm -57.44 -18.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -92.24 2.49 56.59 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.911 1.684 . . . . 0.0 114.091 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 C-N-CA 125.668 1.604 . . . . 0.0 113.177 -177.397 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -128.57 -59.24 1.15 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.032 0.933 . . . . 0.0 111.746 177.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.401 ' HE1' HG21 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -170.68 -150.26 0.07 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.963 2.105 . . . . 0.0 107.904 173.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.55 -27.15 2.57 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 129.213 3.005 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.85 -44.82 82.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.681 0.673 . . . . 0.0 112.414 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -35.11 79.82 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.563 1.074 . . . . 0.0 112.151 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.65 -44.4 90.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.601 0.637 . . . . 0.0 112.033 172.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -52.62 -51.39 60.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.995 0.918 . . . . 0.0 111.867 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -67.6 1.2 2.54 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.51 -40.31 4.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.539 1.536 . . . . 0.0 111.753 168.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.55 -44.4 67.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.322 1.049 . . . . 0.0 112.117 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -31.19 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.162 -0.961 . . . . 0.0 112.3 173.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.13 -45.53 91.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.757 0.823 . . . . 0.0 111.561 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.71 94.44 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -40.54 72.79 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.054 -1.029 . . . . 0.0 113.671 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.47 -43.74 89.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.474 0.71 . . . . 0.0 112.547 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.21 -38.85 78.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.962 0.905 . . . . 0.0 111.527 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.557 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 20.0 m-85 -61.49 -38.26 86.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -76.29 -29.44 57.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.061 1.3 . . . . 0.0 113.057 174.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -65.53 -48.56 72.05 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.13 0.967 . . . . 0.0 111.125 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.76 -30.89 71.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.126 0.97 . . . . 0.0 113.1 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -64.88 -46.48 81.61 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.94 -1.1 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.39 -37.82 78.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.267 1.027 . . . . 0.0 112.179 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.457 HH11 ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -88.43 -29.18 20.39 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -175.741 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.48 -50.16 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.478 1.111 . . . . 0.0 112.254 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.47 35.08 91.23 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 115.257 0.863 . . . . 0.0 115.257 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.603 ' HB3' HD13 ' B' ' 47' ' ' ILE . 12.1 t70 -54.98 140.73 60.99 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.027 0.931 . . . . 0.0 111.559 174.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.34 -35.69 96.16 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.381 2.054 . . . . 0.0 115.086 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 1.036 ' CG2' ' CD2' ' B' ' 43' ' ' TRP . 2.5 p -71.9 -27.42 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 120.678 1.581 . . . . 0.0 112.069 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.33 -44.08 95.94 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.589 1.156 . . . . 0.0 111.331 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.12 89.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.467 0.707 . . . . 0.0 112.772 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.77 -35.45 80.65 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.442 -0.786 . . . . 0.0 112.833 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.72 HG12 ' CD2' ' B' ' 40' ' ' HIS . 37.2 mt -64.92 -53.74 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 117.911 0.323 . . . . 0.0 111.2 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.32 -20.99 66.25 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.8 -41.67 91.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.012 1.325 . . . . 0.0 112.733 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -71.25 -43.07 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.688 0.795 . . . . 0.0 111.352 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.63 -18.06 65.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.761 1.224 . . . . 0.0 113.87 -171.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.03 -46.77 32.75 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.064 -1.023 . . . . 0.0 113.515 168.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.1 -36.57 77.72 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.61 -1.306 . . . . 0.0 110.939 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.648 ' CE1' HG22 ' B' ' 33' ' ' ILE . 2.0 m-70 -54.69 -6.59 0.12 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.868 2.867 . . . . 0.0 117.236 167.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 tp -114.33 -35.45 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 120.587 1.54 . . . . 0.0 110.234 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -52.13 59.39 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.502 0.592 . . . . 0.0 110.999 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -61.02 -43.29 99.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.355 0.662 . . . . 0.0 111.594 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.3 -35.28 80.33 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.56 1.144 . . . . 0.0 112.84 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.38 -48.63 22.09 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.427 1.012 . . . . 0.0 111.871 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.8 m -54.13 -36.52 63.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.449 1.022 . . . . 0.0 112.138 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.252 13.4 mm -70.57 -3.16 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -59.29 -22.57 61.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 120.351 -1.468 . . . . 0.0 114.703 165.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 C-N-CA 125.345 1.45 . . . . 0.0 113.55 177.752 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 52.65 64.36 1.89 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.263 1.825 . . . . 0.0 115.478 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -139.25 -41.12 0.46 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.529 1.131 . . . . 0.0 113.541 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -48.98 -26.77 2.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.33 2.252 . . . . 0.0 115.616 165.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.3 -47.34 50.68 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 121.649 2.022 . . . . 0.0 111.908 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -61.32 -40.6 94.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.036 0.835 . . . . 0.0 111.47 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.8 mt -58.06 -53.73 54.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.419 0.688 . . . . 0.0 112.353 172.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.67 -50.23 60.79 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.992 0.814 . . . . 0.0 112.345 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -68.86 6.93 0.76 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 65.5 mt -115.57 -43.56 3.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.21 1.404 . . . . 0.0 111.835 164.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.557 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 6.1 mm-40 -67.83 -48.74 65.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.159 1.384 . . . . 0.0 111.922 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.99 -30.51 66.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 112.719 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -64.03 -41.67 97.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.577 0.751 . . . . 0.0 111.944 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.75 84.57 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.504 0.722 . . . . 0.0 112.004 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -54.87 -46.11 74.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.844 0.858 . . . . 0.0 113.295 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -54.24 -38.06 65.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.482 1.113 . . . . 0.0 112.914 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.15 -37.45 28.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.854 1.262 . . . . 0.0 111.424 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.39 -34.73 71.06 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.78 -26.84 44.51 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -75.03 -52.85 10.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.003 0.82 . . . . 0.0 112.526 -170.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.67 -1.61 25.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -57.49 -56.23 24.58 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.15 -32.04 72.6 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.406 0.683 . . . . 0.0 112.082 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -74.55 -34.93 63.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.882 1.273 . . . . 0.0 113.005 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.401 HG21 ' HE1' ' A' ' 3' ' ' TYR . 95.2 t -80.63 -52.27 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.785 0.834 . . . . 0.0 111.78 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.87 47.63 65.46 Favored Glycine 0 CA--C 1.541 1.665 0 N-CA-C 115.464 0.945 . . . . 0.0 115.464 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -130.05 150.18 75.26 Favored Pre-proline 0 N--CA 1.479 1.015 0 CA-C-N 118.711 1.256 . . . . 0.0 112.587 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.42 -34.52 3.43 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.825 2.35 . . . . 0.0 114.381 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -68.07 -24.94 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.9 1.227 . . . . 0.0 112.47 -178.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.58 -45.26 83.95 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.808 1.243 . . . . 0.0 111.686 171.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.9 89.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.686 0.795 . . . . 0.0 112.61 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -64.12 -34.73 78.72 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.351 -0.843 . . . . 0.0 112.428 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.648 HG22 ' CE1' ' A' ' 40' ' ' HIS . 16.1 mt -67.72 -45.13 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.432 0.693 . . . . 0.0 112.778 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.84 -26.55 66.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.014 0.825 . . . . 0.0 112.916 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.9 -32.02 70.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.351 1.461 . . . . 0.0 113.323 172.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -71.19 -41.86 69.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.37 1.068 . . . . 0.0 112.788 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.24 -23.32 66.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.219 -0.925 . . . . 0.0 112.536 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.9 -42.52 94.03 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.169 -0.957 . . . . 0.0 112.326 174.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.04 -46.67 77.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.71 0.404 . . . . 0.0 110.49 171.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.72 ' CD2' HG12 ' A' ' 33' ' ' ILE . 35.7 m170 -56.67 -44.19 81.15 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.525 -1.226 . . . . 0.0 113.63 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.2 tp -77.2 -32.08 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.733 2.413 . . . . 0.0 111.636 -173.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.73 -46.77 71.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.346 -0.846 . . . . 0.0 110.45 168.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 1.036 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 44.3 m0 -63.97 -29.64 70.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.678 0.791 . . . . 0.0 112.775 171.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.88 -55.94 28.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.642 1.177 . . . . 0.0 112.443 178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.58 -32.94 74.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.56 -0.713 . . . . 0.0 112.519 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -57.76 -28.97 64.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 170.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.603 HD13 ' HB3' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -67.54 -6.41 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -58.91 -24.56 62.5 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.218 1.407 . . . . 0.0 114.476 173.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.217 0 C-N-CA 125.56 1.552 . . . . 0.0 113.154 -179.691 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 67.67 -179.95 0.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.522 1.929 . . . . 0.0 113.806 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.677 ' CZ ' HG13 ' B' ' 25' ' ' VAL . 0.6 OUTLIER -111.29 -82.06 0.58 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.376 1.471 . . . . 0.0 110.508 -173.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -26.82 68.9 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.868 1.267 . . . . 0.0 113.107 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -73.75 -42.94 60.41 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.631 -1.293 . . . . 0.0 111.748 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.32 -41.08 88.24 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.279 165.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.78 HD21 ' CZ ' ' B' ' 18' ' ' TYR . 76.3 mt -56.68 -51.62 68.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.007 1.276 . . . . 0.0 111.686 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.6 -51.76 52.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.635 0.731 . . . . 0.0 112.33 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.99 2.58 3.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.801 1.64 . . . . 0.0 115.303 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.601 ' CD1' HD11 ' B' ' 17' ' ' LEU . 75.8 mt -113.4 -40.78 3.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.196 1.798 . . . . 0.0 111.395 169.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.31 -44.18 72.24 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.27 1.028 . . . . 0.0 111.229 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -69.69 -34.72 74.33 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.184 -0.948 . . . . 0.0 112.989 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -44.22 97.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.713 0.805 . . . . 0.0 111.554 173.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.38 83.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.369 0.668 . . . . 0.0 111.592 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ttm -53.32 -39.09 63.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.281 1.032 . . . . 0.0 113.48 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -62.94 -39.13 93.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD11 HD12 ' B' ' 10' ' ' LEU . 64.0 mt -71.17 -41.16 70.72 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.1 0.96 . . . . 0.0 110.796 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.41 -7.71 27.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.254 1.422 . . . . 0.0 114.412 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -105.84 -7.18 18.42 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 167.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -119.14 -49.31 2.4 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.067 0.849 . . . . 0.0 112.416 -169.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -34.39 71.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.235 1.014 . . . . 0.0 111.966 169.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -58.45 -39.86 81.01 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.119 2.168 . . . . 0.0 114.083 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -71.43 -30.77 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.635 -0.666 . . . . 0.0 112.522 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.846 ' HB3' ' HE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -78.79 -29.14 44.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.581 1.153 . . . . 0.0 113.721 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.85 -35.26 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.89 1.276 . . . . 0.0 112.59 -170.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.09 8.0 72.86 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 116.521 1.368 . . . . 0.0 116.521 173.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.632 ' CB ' HD13 ' B' ' 47' ' ' ILE . 0.3 OUTLIER -64.43 134.85 96.12 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 119.381 1.591 . . . . 0.0 112.29 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.29 -38.08 5.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.173 1.915 . . . . 0.0 113.131 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 p -68.13 -30.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.399 1.0 . . . . 0.0 112.258 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -68.08 -46.65 70.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.965 1.306 . . . . 0.0 110.931 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.66 86.61 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.17 -41.27 90.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.922 1.289 . . . . 0.0 113.788 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.711 HG22 ' CE1' ' B' ' 40' ' ' HIS . 9.0 mt -58.85 -37.09 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -171.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.59 -21.64 64.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -171.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.77 -35.51 80.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.786 1.634 . . . . 0.0 112.787 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -66.93 -45.04 79.11 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.676 -0.64 . . . . 0.0 110.777 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -62.79 -31.94 73.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.369 -0.832 . . . . 0.0 112.336 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.12 -45.18 95.75 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.371 1.068 . . . . 0.0 111.657 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.414 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -61.9 -47.83 83.21 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.756 0.822 . . . . 0.0 111.582 171.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.643 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 43.4 m170 -55.45 -44.15 76.11 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.554 1.142 . . . . 0.0 113.545 -175.514 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.6 tt -85.1 -27.55 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 126.119 1.768 . . . . 0.0 111.974 -172.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.54 -46.85 86.51 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 110.46 164.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -63.99 -36.94 85.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.006 0.523 . . . . 0.0 112.253 170.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.9 -50.56 73.57 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.984 0.811 . . . . 0.0 112.409 177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -55.28 -45.7 76.16 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.988 0.915 . . . . 0.0 112.232 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.1 m -60.91 -42.92 99.03 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.705 0.802 . . . . 0.0 112.251 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.938 HD13 ' CG1' ' B' ' 29' ' ' VAL . 14.7 mt -61.61 -31.31 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.19 1.396 . . . . 0.0 114.366 174.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -84.08 -39.1 19.96 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.071 1.748 . . . . 0.0 113.255 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 C-N-CA 126.947 2.213 . . . . 0.0 114.523 -179.2 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 65.18 -15.21 0.1 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.514 2.326 . . . . 0.0 116.693 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.846 ' HE2' ' HB3' ' A' ' 24' ' ' ARG . 1.8 m-30 -38.72 -56.96 1.26 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.114 2.166 . . . . 0.0 113.342 174.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -20.43 61.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -173.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -68.58 -42.23 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.932 0.787 . . . . 0.0 110.188 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.55 -34.47 75.62 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.877 0.762 . . . . 0.0 112.569 172.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.79 -52.84 47.44 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.804 1.184 . . . . 0.0 111.902 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.79 -49.61 65.25 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.881 0.764 . . . . 0.0 112.846 176.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -71.21 6.38 1.71 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.775 1.63 . . . . 0.0 114.99 177.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.469 HD12 HD11 ' A' ' 17' ' ' LEU . 87.4 mt -116.0 -40.62 3.28 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.588 1.155 . . . . 0.0 112.271 163.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.08 -46.46 42.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.919 0.888 . . . . 0.0 112.636 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.47 -29.48 62.55 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.002 -1.061 . . . . 0.0 112.028 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -41.95 86.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.402 -0.811 . . . . 0.0 111.816 170.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.5 76.76 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.7 -38.84 64.65 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.834 -1.167 . . . . 0.0 113.754 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.96 -38.68 73.31 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.601 HD11 ' CD1' ' A' ' 10' ' ' LEU . 60.8 mt -78.29 -41.92 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 110.569 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . 0.78 ' CZ ' HD21 ' A' ' 7' ' ' LEU . 21.4 m-85 -62.8 -30.32 71.38 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.501 1.121 . . . . 0.0 113.119 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.92 -27.77 28.33 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -88.26 -61.41 1.72 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.974 0.892 . . . . 0.0 111.705 -174.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 62.11 2.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.622 1.969 . . . . 0.0 111.297 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -133.63 -46.29 0.81 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.597 1.559 . . . . 0.0 111.175 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.9 -38.09 81.29 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -82.67 -36.31 26.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 174.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.677 HG13 ' CZ ' ' A' ' 3' ' ' TYR . 55.5 t -75.85 -45.09 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.929 0.892 . . . . 0.0 112.341 -173.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.43 -5.74 14.27 Favored Glycine 0 CA--C 1.541 1.699 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 168.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -66.25 138.98 96.18 Favored Pre-proline 0 CA--C 1.551 0.992 0 CA-C-N 120.111 1.956 . . . . 0.0 113.063 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.8 -29.92 9.95 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.196 2.597 . . . . 0.0 113.893 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.938 ' CG1' HD13 ' A' ' 47' ' ' ILE . 8.6 p -69.26 -23.31 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.129 -0.982 . . . . 0.0 112.964 178.192 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.41 -39.21 72.65 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.962 1.305 . . . . 0.0 111.743 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.83 92.64 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.797 -0.564 . . . . 0.0 112.465 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.56 -42.09 92.21 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.345 -0.847 . . . . 0.0 112.13 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.87 -57.06 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.418 1.087 . . . . 0.0 110.797 171.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.41 -28.29 68.51 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.65 -37.42 86.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.869 1.267 . . . . 0.0 112.474 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . 0.643 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 89.8 m-20 -69.96 -44.48 69.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.553 -0.717 . . . . 0.0 111.667 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.11 -20.71 66.16 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.49 -52.85 34.29 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.766 1.166 . . . . 0.0 111.914 168.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -56.23 -40.59 74.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.341 -0.85 . . . . 0.0 111.471 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.711 ' CE1' HG22 ' A' ' 33' ' ' ILE . 30.1 m170 -59.76 -20.78 58.76 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.82 -32.16 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.343 1.457 . . . . 0.0 110.676 -176.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.99 -45.87 80.06 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.62 -0.675 . . . . 0.0 110.574 168.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . 0.468 ' HE3' HD11 ' A' ' 33' ' ' ILE . 37.6 m0 -62.24 -31.82 72.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.628 0.771 . . . . 0.0 112.447 170.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -61.19 -55.57 30.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.942 0.897 . . . . 0.0 112.475 175.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.15 -42.57 95.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.755 0.822 . . . . 0.0 111.121 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.9 m -58.63 -29.92 66.88 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.546 1.138 . . . . 0.0 113.081 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.632 HD13 ' CB ' ' A' ' 27' ' ' ASP . 1.2 tp -64.25 -11.82 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -140.3 6.92 2.15 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.064 1.746 . . . . 0.0 113.934 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.257 0 C-N-CA 125.61 1.576 . . . . 0.0 113.216 -178.702 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.081 0.467 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.45 47.64 0.72 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.052 1.741 . . . . 0.0 113.143 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 1.444 ' HH ' ' CB ' ' B' ' 24' ' ' ARG . 0.0 OUTLIER -142.49 -50.01 0.36 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.341 1.456 . . . . 0.0 111.377 -179.634 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.61 -21.26 14.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -61.12 -37.84 84.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.344 1.429 . . . . 0.0 112.118 172.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.29 -27.15 68.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.55 1.54 . . . . 0.0 113.615 172.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.8 mt -81.12 -45.97 15.64 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.689 0.796 . . . . 0.0 111.047 174.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.71 -50.11 66.61 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.72 1.208 . . . . 0.0 112.191 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -76.68 11.25 1.75 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.942 HD12 ' HB1' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -103.23 -47.07 4.43 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.445 1.898 . . . . 0.0 108.999 161.478 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.73 -40.28 49.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.623 0.647 . . . . 0.0 110.65 -165.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.15 -39.25 86.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 112.198 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.97 -45.04 83.14 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.194 0.998 . . . . 0.0 113.0 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.44 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.514 0.726 . . . . 0.0 110.971 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.9 tpp -55.41 -47.74 75.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.352 1.061 . . . . 0.0 113.14 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.92 -37.35 14.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.815 1.246 . . . . 0.0 113.634 173.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -91.19 -48.29 7.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 111.167 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.991 ' CE1' HD21 ' B' ' 7' ' ' LEU . 10.0 m-85 -56.69 -42.45 79.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.325 1.05 . . . . 0.0 111.222 177.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -35.91 81.34 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.716 -0.615 . . . . 0.0 111.537 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 1.18 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 4.7 tp10 -69.69 -47.85 61.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.194 0.452 . . . . 0.0 110.38 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 1.563 ' HB1' ' CE2' ' B' ' 3' ' ' TYR . . . -59.52 -36.91 77.03 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.667 0.787 . . . . 0.0 112.386 175.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -59.12 -47.8 83.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.752 -1.217 . . . . 0.0 111.58 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.05 -1.41 12.1 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -21.43 7.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.052 1.741 . . . . 0.0 113.92 177.665 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -132.14 -31.03 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.022 1.329 . . . . 0.0 112.868 -170.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.6 16.7 77.72 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.745 1.458 . . . . 0.0 116.745 170.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.19 131.44 93.55 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 119.408 1.604 . . . . 0.0 112.517 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.09 -31.78 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.591 2.194 . . . . 0.0 113.121 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.74 -30.13 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.318 -0.864 . . . . 0.0 112.087 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -44.52 80.99 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.794 171.253 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.58 80.77 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.271 -0.893 . . . . 0.0 112.89 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -62.37 -40.09 95.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.216 1.006 . . . . 0.0 112.524 172.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.93 -40.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.381 1.072 . . . . 0.0 111.97 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.99 -40.63 94.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.113 0.869 . . . . 0.0 113.331 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.07 -36.56 79.96 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.19 1.396 . . . . 0.0 112.257 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.69 -53.13 24.08 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.725 0.81 . . . . 0.0 112.361 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.75 -27.5 68.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.098 0.863 . . . . 0.0 112.733 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.26 -51.15 67.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.671 1.188 . . . . 0.0 112.124 174.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.76 -41.05 83.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.441 1.896 . . . . 0.0 113.578 173.17 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.1 -35.08 70.92 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.557 1.143 . . . . 0.0 114.08 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 7.2 tt -82.46 -21.62 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 127.045 2.138 . . . . 0.0 111.442 -173.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.98 -49.54 44.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.514 -0.741 . . . . 0.0 109.828 163.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -58.29 -33.22 69.22 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 tt -56.6 -55.77 29.79 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.603 1.161 . . . . 0.0 113.096 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.57 -40.13 96.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.886 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -56.74 -22.43 35.44 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.604 1.161 . . . . 0.0 113.596 173.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.565 HD12 HG12 ' B' ' 29' ' ' VAL . 1.1 tp -68.32 -4.17 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 173.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.03 -11.18 0.98 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 173.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.824 0 C-N-CA 126.039 1.781 . . . . 0.0 114.519 174.232 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.433 ' HG2' ' H ' ' B' ' 2' ' ' ASP 0.254 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 118.876 -0.583 . . . . 0.0 111.565 . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.433 ' H ' ' HG2' ' B' ' 1' ' ' MET . 3.4 m-20 -140.46 91.45 2.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.133 1.373 . . . . 0.0 110.069 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 1.563 ' CE2' ' HB1' ' A' ' 21' ' ' ALA . 12.6 t80 -148.25 -56.13 0.22 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.316 1.046 . . . . 0.0 111.314 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 pp -60.97 -22.65 64.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.065 1.746 . . . . 0.0 114.305 172.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -64.55 -41.97 95.98 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.791 -1.193 . . . . 0.0 112.335 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.47 -35.58 80.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.004 0.82 . . . . 0.0 112.012 172.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.991 HD21 ' CE1' ' A' ' 18' ' ' TYR . 73.7 mt -61.64 -51.2 69.44 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.342 0.657 . . . . 0.0 111.749 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.51 -52.49 54.3 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.078 0.854 . . . . 0.0 112.957 172.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -68.08 4.43 1.23 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.1 mt -107.71 -54.43 2.49 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.102 1.361 . . . . 0.0 111.483 161.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.789 ' CD ' ' HH ' ' A' ' 18' ' ' TYR . 4.4 mm-40 -66.92 -34.45 77.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.534 1.133 . . . . 0.0 112.233 -170.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.35 -34.72 31.61 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.958 -1.089 . . . . 0.0 113.463 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -55.08 -45.25 75.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.714 0.806 . . . . 0.0 110.313 167.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . 0.942 ' HB1' HD12 ' A' ' 10' ' ' LEU . . . -61.99 -48.49 80.12 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.234 1.014 . . . . 0.0 112.766 170.681 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 40.1 tpp -55.09 -41.03 71.08 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.886 1.221 . . . . 0.0 113.303 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.94 -34.11 76.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -81.61 -31.11 32.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 125.188 1.395 . . . . 0.0 112.216 176.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -65.95 -40.22 91.12 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 117.432 -1.27 . . . . 0.0 111.098 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.04 -22.62 64.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.905 1.684 . . . . 0.0 114.676 166.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.12 -63.82 1.33 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.441 1.096 . . . . 0.0 113.138 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -23.08 67.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -52.93 -42.72 65.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 112.737 170.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.19 -8.09 28.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.419 1.487 . . . . 0.0 114.451 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . 1.444 ' CB ' ' HH ' ' A' ' 3' ' ' TYR . 2.2 mmm180 -125.35 -18.14 5.42 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.835 1.654 . . . . 0.0 114.255 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 1.097 HG22 ' CE2' ' A' ' 3' ' ' TYR . 67.2 t -110.22 -39.88 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.169 1.388 . . . . 0.0 112.071 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.14 2.46 18.78 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.628 1.811 . . . . 0.0 117.628 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . 0.413 ' HB3' HD13 ' A' ' 47' ' ' ILE . 5.2 m-20 -66.4 143.69 98.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 CA-C-N 119.886 1.843 . . . . 0.0 112.86 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.08 -34.03 10.88 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.578 2.185 . . . . 0.0 113.274 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 47' ' ' ILE . 9.1 p -71.69 -26.26 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.181 -0.949 . . . . 0.0 112.844 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.75 -46.8 74.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.687 1.195 . . . . 0.0 110.542 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.83 77.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.569 0.748 . . . . 0.0 112.945 171.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -68.68 -28.4 66.83 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.075 -1.016 . . . . 0.0 113.499 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 61.6 mt -67.3 -55.74 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.459 173.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.4 -14.37 18.54 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.138 1.79 . . . . 0.0 114.986 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -75.89 -40.7 53.93 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.197 1.399 . . . . 0.0 113.603 167.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -76.96 -46.21 24.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.353 1.461 . . . . 0.0 112.01 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.02 -6.11 15.71 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 128.857 2.863 . . . . 0.0 112.347 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.27 -54.08 29.19 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.488 1.515 . . . . 0.0 111.673 164.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.22 -29.96 70.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.841 0.856 . . . . 0.0 111.783 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.16 -2.36 0.43 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.841 2.456 . . . . 0.0 116.299 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tp -116.52 -30.54 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 120.268 1.395 . . . . 0.0 112.045 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -73.74 -45.54 51.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 174.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.95 -27.77 69.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.772 0.829 . . . . 0.0 112.334 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -56.05 20.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.05 1.34 . . . . 0.0 111.902 172.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.56 -34.7 69.46 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.402 1.081 . . . . 0.0 112.068 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.8 m -65.42 -30.46 71.27 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 173.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.98 -4.78 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.36 -17.1 41.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.13 1.772 . . . . 0.0 115.306 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 C-N-CA 125.265 1.412 . . . . 0.0 113.291 178.493 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.766 ' SD ' HG21 ' B' ' 25' ' ' VAL . 21.8 ttm . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -145.28 -42.79 0.22 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -53.04 -41.84 65.17 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.504 1.502 . . . . 0.0 112.795 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -23.97 2.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.431 2.292 . . . . 0.0 114.431 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -84.2 -36.24 22.93 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 -166.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.309 0.644 . . . . 0.0 111.532 160.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.74 -51.8 66.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.367 0.985 . . . . 0.0 111.542 177.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -55.43 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.46 1.504 . . . . 0.0 113.375 166.424 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.84 -1.42 5.48 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.22 -40.6 5.13 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.624 1.57 . . . . 0.0 111.796 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.29 -42.49 62.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.426 1.09 . . . . 0.0 112.087 -175.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.92 -36.34 80.0 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.372 -0.83 . . . . 0.0 111.874 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -44.31 97.28 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.71 -0.619 . . . . 0.0 111.964 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.514 0.726 . . . . 0.0 112.189 171.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -57.4 -45.19 84.79 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.258 -0.901 . . . . 0.0 113.216 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -51.49 -43.48 62.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.697 0.799 . . . . 0.0 112.398 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.93 -40.25 47.83 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.579 1.151 . . . . 0.0 112.086 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.76 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.648 -0.692 . . . . 0.0 111.072 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -67.25 -31.07 71.17 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.813 1.188 . . . . 0.0 113.642 174.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.594 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 1.2 tp10 -70.11 -48.29 58.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.131 0.878 . . . . 0.0 111.284 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.673 ' HB1' ' CE2' ' B' ' 3' ' ' TYR . . . -68.04 -26.14 65.72 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 t -63.77 -44.94 91.92 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.079 -1.013 . . . . 0.0 112.271 167.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.59 -38.45 91.15 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.616 -0.678 . . . . 0.0 112.023 172.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -66.81 -40.18 87.97 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.456 1.102 . . . . 0.0 113.592 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.3 t -140.74 -55.82 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.514 1.125 . . . . 0.0 111.929 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.58 -67.04 0.52 Allowed Glycine 0 N--CA 1.468 0.824 0 C-N-CA 125.199 1.381 . . . . 0.0 111.8 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 47.44 131.37 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 129.598 3.159 . . . . 0.0 116.436 -168.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.43 -40.31 4.39 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.717 1.611 . . . . 0.0 114.681 -163.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 p -77.91 -25.2 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.676 -0.64 . . . . 0.0 112.143 174.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.68 -44.08 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.679 1.192 . . . . 0.0 111.219 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.63 65.46 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.81 -31.54 40.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.942 1.297 . . . . 0.0 113.139 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.513 HG12 ' CD2' ' B' ' 40' ' ' HIS . 49.0 mt -63.29 -37.1 78.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 121.391 -0.818 . . . . 0.0 111.693 174.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.82 -42.1 71.45 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.273 0.942 . . . . 0.0 112.548 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.82 -40.29 91.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.134 1.374 . . . . 0.0 112.309 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -66.95 -47.11 72.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.577 0.751 . . . . 0.0 112.68 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.639 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 40.5 mm-40 -67.11 -18.69 65.43 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.282 -0.886 . . . . 0.0 112.747 176.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.53 -49.9 73.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.553 1.524 . . . . 0.0 111.696 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -57.59 -38.21 74.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.592 0.757 . . . . 0.0 111.396 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.613 ' CE1' HG22 ' B' ' 33' ' ' ILE . 28.6 m170 -63.23 -21.0 65.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -90.9 -40.49 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.758 1.623 . . . . 0.0 110.047 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -59.45 -45.83 90.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.614 0.766 . . . . 0.0 111.015 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.478 ' HE3' HD13 ' B' ' 33' ' ' ILE . 43.4 m0 -62.69 -34.46 77.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.455 0.702 . . . . 0.0 112.415 170.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -49.93 71.93 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.235 1.379 . . . . 0.0 114.494 -176.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.77 -40.14 79.07 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.448 1.099 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.9 m -63.58 -1.98 1.47 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 127.032 2.133 . . . . 0.0 114.406 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mm -106.91 -4.94 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.604 1.561 . . . . 0.0 112.6 -175.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -61.44 -22.89 65.43 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.569 1.147 . . . . 0.0 114.063 173.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 C-N-CA 126.474 1.988 . . . . 0.0 112.835 173.336 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.62 147.49 33.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.927 1.291 . . . . 0.0 110.286 -169.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' TYR . . . . . 0.673 ' CE2' ' HB1' ' A' ' 21' ' ' ALA . 55.6 t80 -148.4 -62.04 0.25 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.627 0.771 . . . . 0.0 111.531 170.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -21.66 62.07 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.385 1.874 . . . . 0.0 113.597 -175.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.18 -39.17 81.7 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 126.902 2.081 . . . . 0.0 113.315 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.64 -41.01 84.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.788 0.722 . . . . 0.0 111.348 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.09 -41.18 99.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.765 0.712 . . . . 0.0 112.415 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -56.01 -54.15 48.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.457 0.703 . . . . 0.0 111.103 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -72.72 15.25 0.2 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.315 1.846 . . . . 0.0 114.75 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -119.94 -40.99 2.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.379 1.871 . . . . 0.0 110.812 165.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . 0.472 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 4.0 mm-40 -76.43 -43.82 38.54 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.383 1.073 . . . . 0.0 111.799 -178.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -71.22 -33.97 70.39 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.196 -0.94 . . . . 0.0 112.348 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.36 -46.56 89.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.452 0.701 . . . . 0.0 111.38 170.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.32 93.68 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.438 0.695 . . . . 0.0 112.203 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.86 -45.8 64.21 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.147 1.34 . . . . 0.0 112.757 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -56.24 -28.71 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.423 1.489 . . . . 0.0 113.55 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -100.27 -33.35 10.45 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 126.45 1.9 . . . . 0.0 112.1 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.02 -43.65 95.11 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.088 0.955 . . . . 0.0 110.247 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 172.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -67.86 -46.76 70.8 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.278 1.031 . . . . 0.0 111.778 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.98 84.73 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.716 1.206 . . . . 0.0 111.383 171.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -56.2 -43.32 78.39 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.168 -0.957 . . . . 0.0 112.347 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.35 2.91 0.75 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.415 1.886 . . . . 0.0 114.993 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.79 -39.61 1.1 Allowed 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.66 -1.275 . . . . 0.0 113.387 172.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . 0.766 HG21 ' SD ' ' A' ' 1' ' ' MET . 61.0 t -79.53 -36.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.0 1.32 . . . . 0.0 111.898 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.67 4.23 57.2 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 134.85 96.02 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.38 1.59 . . . . 0.0 112.04 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.61 -36.98 17.8 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.406 2.071 . . . . 0.0 112.454 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.95 -30.63 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.371 -0.831 . . . . 0.0 112.507 175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -39.31 86.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.279 1.031 . . . . 0.0 111.323 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.77 79.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.15 -33.68 76.34 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.168 -0.958 . . . . 0.0 113.358 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.613 HG22 ' CE1' ' A' ' 40' ' ' HIS . 57.4 mt -57.35 -32.52 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 118.378 0.535 . . . . 0.0 111.832 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.63 -34.75 71.52 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.821 -1.174 . . . . 0.0 114.064 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -44.17 85.69 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.419 1.008 . . . . 0.0 111.989 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.13 -51.8 59.09 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.732 -0.605 . . . . 0.0 111.159 176.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . 0.603 ' OE2' 'ZN ' ' A' ' 50' ' ' ' ZN' . 30.5 mm-40 -67.83 -17.9 64.66 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.77 -54.87 11.64 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.258 1.023 . . . . 0.0 111.569 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.6 -37.47 75.91 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.821 -0.549 . . . . 0.0 111.487 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' HIS . . . . . 0.513 ' CD2' HG12 ' A' ' 33' ' ' ILE . 23.5 m170 -62.32 -3.62 1.44 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -114.28 -34.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 120.874 1.67 . . . . 0.0 110.947 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.48 -51.21 61.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.496 0.589 . . . . 0.0 110.689 165.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -66.75 -34.79 78.62 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.37 -34.12 76.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.964 1.306 . . . . 0.0 113.183 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.22 -37.17 23.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.381 0.992 . . . . 0.0 112.385 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -57.63 -36.3 71.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.14 0.976 . . . . 0.0 112.363 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 tp -73.53 -4.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -61.71 -28.09 69.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.754 1.622 . . . . 0.0 113.912 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.272 0 C-N-CA 126.1 1.809 . . . . 0.0 113.131 -175.399 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . 0.603 'ZN ' ' OE2' ' B' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 150' ' ' ' ZN' . . . . . 0.639 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 120.491 0.186 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -78.64 -21.22 48.71 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.336 1.854 . . . . 0.0 114.218 -171.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.47 -36.7 74.12 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.305 1.042 . . . . 0.0 112.975 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.43 -27.15 66.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 113.363 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -80.5 -44.54 18.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.85 0.86 . . . . 0.0 111.629 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.07 -50.91 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.743 1.617 . . . . 0.0 111.379 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -71.87 4.79 3.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.54 -41.48 4.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.631 1.173 . . . . 0.0 111.824 164.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.18 -46.76 76.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.327 0.967 . . . . 0.0 111.556 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.19 -29.51 64.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.113 -0.992 . . . . 0.0 112.838 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -42.06 86.54 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.255 -0.903 . . . . 0.0 111.963 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.93 96.98 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 122.971 0.508 . . . . 0.0 111.251 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ttm -54.19 -44.99 72.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.638 0.775 . . . . 0.0 112.613 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -49.67 -33.59 16.15 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.416 2.287 . . . . 0.0 113.577 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.43 -39.62 9.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 126.703 2.001 . . . . 0.0 111.51 -175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.49 -33.2 71.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.67 0.788 . . . . 0.0 112.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -20.61 48.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.751 1.22 . . . . 0.0 113.992 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -87.55 -51.47 5.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 110.858 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -23.04 67.05 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.075 1.35 . . . . 0.0 114.599 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -55.41 -49.81 71.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.46 -32.51 74.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -43.51 55.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.752 1.221 . . . . 0.0 111.716 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.3 -38.73 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.643 0.777 . . . . 0.0 111.903 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.95 21.37 71.31 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.722 1.153 . . . . 0.0 115.864 172.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 135.23 20.73 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.074 1.437 . . . . 0.0 112.237 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.8 -30.01 18.1 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.94 2.427 . . . . 0.0 112.989 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.41 -30.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.409 -0.807 . . . . 0.0 112.197 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.46 -42.76 99.27 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.465 1.106 . . . . 0.0 111.473 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.23 77.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -64.63 -34.02 77.3 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.099 -1.001 . . . . 0.0 112.451 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.76 -47.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 O-C-N 121.651 -0.656 . . . . 0.0 112.542 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.01 -26.97 68.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.799 0.727 . . . . 0.0 112.894 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -44.46 84.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.144 171.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.19 -36.66 77.54 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.996 0.918 . . . . 0.0 112.463 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -67.55 -12.01 59.37 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.22 -41.46 81.24 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.201 1.819 . . . . 0.0 112.617 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.99 -37.57 74.51 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 121.663 -0.648 . . . . 0.0 111.177 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -71.68 1.05 7.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.115 1.766 . . . . 0.0 115.385 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.9 mm -115.31 -39.25 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 125.988 1.715 . . . . 0.0 109.038 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.47 -57.35 13.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.95 0.796 . . . . 0.0 111.744 170.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -64.11 -39.25 93.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.572 0.749 . . . . 0.0 111.722 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.7 tp -66.21 -29.88 70.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.386 1.474 . . . . 0.0 112.759 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -73.72 -51.85 15.18 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.1 0.863 . . . . 0.0 111.846 167.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.5 m -57.36 -43.09 83.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.632 0.773 . . . . 0.0 112.713 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.07 -9.23 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 C-N-CA 123.835 0.854 . . . . 0.0 113.064 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 125.268 1.427 . . . . 0.0 114.229 175.061 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 121.206 0.527 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.26 -27.63 69.15 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 124.952 1.301 . . . . 0.0 113.772 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -66.63 -42.45 86.74 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.043 1.292 . . . . 0.0 111.822 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.13 -35.55 81.14 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.964 1.256 . . . . 0.0 112.443 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.67 -51.91 55.73 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.022 0.828 . . . . 0.0 111.597 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.11 -50.07 65.2 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.46 1.104 . . . . 0.0 111.627 174.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.82 2.54 5.29 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.8 mt -114.15 -39.55 3.88 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.452 1.101 . . . . 0.0 112.738 164.707 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.81 -43.92 64.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.428 1.013 . . . . 0.0 111.738 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.74 -35.25 78.39 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.124 0.874 . . . . 0.0 112.417 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -44.77 95.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.765 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.71 80.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.237 0.615 . . . . 0.0 111.993 172.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.5 tpp -53.96 -46.15 71.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.051 1.34 . . . . 0.0 113.058 176.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -51.91 -42.97 63.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.624 0.647 . . . . 0.0 112.618 174.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.84 -42.0 41.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.79 -43.78 90.55 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.371 0.419 . . . . 0.0 112.103 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.97 -32.72 72.5 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.15 -54.04 12.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.83 0.824 . . . . 0.0 112.214 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.18 66.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -171.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.9 t -52.08 -48.88 64.48 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -171.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.96 -10.94 54.71 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -116.76 -28.48 6.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.059 1.344 . . . . 0.0 112.977 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -77.6 -40.58 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.657 1.183 . . . . 0.0 111.166 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.57 35.95 75.67 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 115.621 1.009 . . . . 0.0 115.621 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -121.61 142.47 35.85 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.627 1.213 . . . . 0.0 112.042 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.76 -27.54 14.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.835 2.357 . . . . 0.0 114.023 -173.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.275 2.8 p -69.52 -21.21 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.624 1.102 . . . . 0.0 112.932 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.8 -41.99 96.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.51 -1.369 . . . . 0.0 112.529 167.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.22 89.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.674 0.67 . . . . 0.0 111.9 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.39 -38.15 79.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.166 0.987 . . . . 0.0 112.91 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -63.35 -32.73 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.72 0.808 . . . . 0.0 112.72 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.55 -41.04 96.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.403 1.001 . . . . 0.0 111.81 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.36 -38.7 91.95 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.7 1.2 . . . . 0.0 112.552 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.32 -50.34 70.41 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.809 -0.557 . . . . 0.0 112.095 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.6 -24.54 64.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.86 -43.38 90.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.411 1.46 . . . . 0.0 112.406 171.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -62.19 -37.94 87.2 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.453 -0.779 . . . . 0.0 111.282 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -69.41 -6.89 33.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -103.21 -37.49 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.912 1.685 . . . . 0.0 109.282 171.185 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.16 -47.41 79.98 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.12 -0.988 . . . . 0.0 111.845 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -66.97 -27.22 67.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.908 1.283 . . . . 0.0 112.948 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -54.74 43.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.325 1.05 . . . . 0.0 112.088 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.65 -27.51 66.07 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.865 0.866 . . . . 0.0 112.562 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.9 m -63.27 -30.59 71.7 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.49 -0.756 . . . . 0.0 112.278 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -5.21 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.628 1.571 . . . . 0.0 114.46 172.024 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 1.515 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 1.6 t80 . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 120.867 0.365 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.6 -14.86 59.12 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -160.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -66.42 -31.26 71.9 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.606 1.093 . . . . 0.0 112.687 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -63.46 -40.32 96.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.206 1.003 . . . . 0.0 112.532 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.803 HD23 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -65.95 -47.09 75.81 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.829 1.251 . . . . 0.0 111.641 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -51.9 50.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.369 1.068 . . . . 0.0 112.924 168.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 4.35 3.12 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.741 HD13 ' HA ' ' B' ' 14' ' ' ALA . 73.8 mt -109.03 -42.5 4.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.32 1.448 . . . . 0.0 111.51 166.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.735 ' HG3' ' OH ' ' B' ' 18' ' ' TYR . 6.9 mm-40 -67.79 -46.73 71.13 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.801 0.841 . . . . 0.0 112.262 -176.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -71.98 -31.69 66.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.351 -0.843 . . . . 0.0 112.349 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.75 -43.52 97.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.566 0.747 . . . . 0.0 111.658 170.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.83 86.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.305 0.642 . . . . 0.0 111.705 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 mtp -55.33 -42.95 74.48 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -53.97 -38.41 64.98 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' B' ' 10' ' ' LEU . 67.3 mt -85.21 -40.11 17.04 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.738 1.215 . . . . 0.0 111.274 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -61.68 -40.23 94.24 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.687 0.795 . . . . 0.0 111.698 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -32.27 66.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.224 0.92 . . . . 0.0 112.732 176.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.26 -52.28 59.47 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.831 0.741 . . . . 0.0 110.2 173.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.79 82.92 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.571 1.149 . . . . 0.0 112.445 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -60.25 -47.92 83.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.43 -0.794 . . . . 0.0 112.224 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -40.38 93.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.592 0.757 . . . . 0.0 112.444 175.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -73.35 -32.16 64.37 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.242 1.417 . . . . 0.0 114.144 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -112.98 -34.21 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.172 0.989 . . . . 0.0 112.902 -167.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.36 2.16 78.37 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.72 1.448 . . . . 0.0 116.72 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 140.82 97.98 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.575 1.688 . . . . 0.0 112.267 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.99 -36.84 9.47 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.622 2.214 . . . . 0.0 113.33 -173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 -27.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 121.149 -0.97 . . . . 0.0 112.768 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.03 -37.29 86.89 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.328 -0.857 . . . . 0.0 112.039 170.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.18 65.83 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.37 -36.86 83.59 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.035 -1.041 . . . . 0.0 112.822 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.4 mt -57.81 -41.6 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.323 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.38 -40.38 96.27 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.46 1.027 . . . . 0.0 112.972 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.55 -40.7 97.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.215 1.006 . . . . 0.0 112.521 174.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.32 -52.07 25.43 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.088 0.955 . . . . 0.0 112.865 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -64.11 -26.43 68.54 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.469 -0.769 . . . . 0.0 112.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.42 -40.05 93.0 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.785 -1.197 . . . . 0.0 113.134 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -66.0 -39.87 90.65 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.589 1.086 . . . . 0.0 111.414 171.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -60.28 -36.83 78.74 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 35.8 mm -75.54 -40.06 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 127.292 2.237 . . . . 0.0 110.347 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.3 -44.56 97.02 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.461 -0.775 . . . . 0.0 110.345 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CG ' HG21 ' B' ' 29' ' ' VAL . 39.8 m0 -64.28 -35.54 81.18 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.902 0.881 . . . . 0.0 112.672 169.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.5 tt -57.05 -49.89 74.44 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.369 1.068 . . . . 0.0 111.794 176.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.41 -37.95 68.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.492 1.117 . . . . 0.0 112.622 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.9 m -58.41 -40.49 82.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.74 HD11 ' HB3' ' B' ' 27' ' ' ASP . 9.4 mm -59.51 -7.96 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.198 1.799 . . . . 0.0 114.717 171.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 126.598 1.959 . . . . 0.0 114.023 178.59 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 p90 . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 mt -41.23 -50.7 3.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.939 2.896 . . . . 0.0 113.306 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.82 -39.43 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.119 -0.988 . . . . 0.0 113.39 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -71.39 -27.45 63.34 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.38 0.991 . . . . 0.0 112.972 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.7 -51.07 68.65 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 120.137 1.335 . . . . 0.0 110.108 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -48.56 70.44 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.33 1.052 . . . . 0.0 112.057 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -75.96 9.19 2.56 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.681 ' CD1' HD12 ' A' ' 17' ' ' LEU . 81.0 mt -114.98 -41.18 3.38 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.165 0.986 . . . . 0.0 112.192 162.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.72 -49.63 24.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.44 1.018 . . . . 0.0 111.424 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -68.54 -25.87 65.14 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.264 -0.897 . . . . 0.0 113.133 173.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.85 -42.45 63.73 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.402 -0.811 . . . . 0.0 112.516 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.741 ' HA ' HD13 ' A' ' 10' ' ' LEU . . . -65.34 -39.69 92.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 112.063 171.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 30.7 tpp -51.33 -44.77 62.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.011 1.324 . . . . 0.0 113.77 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -54.35 -42.59 70.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.575 0.75 . . . . 0.0 112.224 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.64 HD12 ' CD1' ' A' ' 10' ' ' LEU . 61.4 mt -79.36 -40.7 29.54 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.217 1.407 . . . . 0.0 111.487 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.803 ' CD1' HD23 ' A' ' 7' ' ' LEU . 7.8 m-85 -56.57 -47.68 79.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.435 0.694 . . . . 0.0 110.797 173.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -73.78 -31.04 63.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.76 -50.63 62.1 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.777 0.799 . . . . 0.0 110.962 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 1.515 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -65.77 -37.7 87.05 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.191 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -55.29 -40.42 71.02 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.055 1.298 . . . . 0.0 112.924 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.13 -12.03 35.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.449 1.5 . . . . 0.0 114.32 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -125.73 -34.1 2.66 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.114 1.365 . . . . 0.0 113.825 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 3' ' ' TYR . 99.1 t -79.1 -37.53 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.355 1.462 . . . . 0.0 111.015 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.56 -3.36 55.08 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 116.629 1.412 . . . . 0.0 116.629 171.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.74 ' HB3' HD11 ' A' ' 47' ' ' ILE . 1.7 m-20 -65.76 133.56 95.07 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 119.51 1.655 . . . . 0.0 112.412 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.78 -28.76 24.75 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.837 2.358 . . . . 0.0 113.332 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.579 HG12 HD11 ' A' ' 47' ' ' ILE . 9.4 p -64.69 -32.58 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.291 -0.881 . . . . 0.0 112.302 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.732 HD11 ' OH ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -66.06 -42.33 89.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.11 0.964 . . . . 0.0 111.036 174.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.28 87.07 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.814 170.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.09 -36.26 81.15 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.005 -1.06 . . . . 0.0 112.856 175.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.19 -39.98 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.75 -0.594 . . . . 0.0 112.026 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.251 0.7 OUTLIER -67.02 -24.91 66.06 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.823 1.192 . . . . 0.0 112.649 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.53 -42.81 74.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.588 1.155 . . . . 0.0 113.128 166.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.59 -46.4 79.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.162 0.985 . . . . 0.0 113.12 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.551 ' OE2' ' OE2' ' A' ' 11' ' ' GLU . 31.6 mm-40 -68.25 -13.36 62.2 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.997 -1.064 . . . . 0.0 113.172 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.62 -46.21 73.17 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.867 -1.145 . . . . 0.0 111.598 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -43.32 71.86 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 122.002 -0.436 . . . . 0.0 110.258 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -66.02 -11.95 51.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.91 -30.66 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.386 1.474 . . . . 0.0 110.351 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.82 -50.08 58.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.991 0.916 . . . . 0.0 110.873 169.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -59.04 -31.75 69.13 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.612 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.61 -53.03 63.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 112.076 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -60.45 -41.41 94.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.82 0.848 . . . . 0.0 112.048 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 m -59.56 -41.53 90.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.925 0.89 . . . . 0.0 112.678 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.32 -4.9 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.551 1.019 0 C-N-CA 125.944 1.698 . . . . 0.0 113.779 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 p90 . . . . . 0 CA--C 1.543 0.687 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.57 -17.11 30.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.63 1.572 . . . . 0.0 115.232 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -56.51 -38.89 72.42 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.606 -0.684 . . . . 0.0 112.594 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.55 -37.95 83.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 123.941 0.897 . . . . 0.0 110.914 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' B' ' 18' ' ' TYR . 18.9 mt -61.81 -47.61 84.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.59 0.632 . . . . 0.0 111.855 173.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.15 -50.36 64.72 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.173 0.989 . . . . 0.0 112.052 173.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -72.34 7.55 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.028 1.731 . . . . 0.0 114.409 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.6 mt -118.93 -41.01 2.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.703 1.601 . . . . 0.0 112.338 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.13 -47.63 49.7 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.639 1.109 . . . . 0.0 111.847 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.82 -36.08 83.18 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.55 -0.719 . . . . 0.0 111.971 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -62.11 -41.24 98.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.64 1.176 . . . . 0.0 112.59 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.09 77.64 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.701 -0.624 . . . . 0.0 112.077 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mtp -56.08 -38.57 70.86 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.56 -34.99 27.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.985 1.714 . . . . 0.0 113.465 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.8 mt -97.12 -40.49 8.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.454 1.502 . . . . 0.0 111.72 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -55.29 -47.52 75.41 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.056 0.942 . . . . 0.0 110.767 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -66.57 -30.99 71.42 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -73.97 -50.47 19.78 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.963 0.905 . . . . 0.0 111.35 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.96 70.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.89 1.276 . . . . 0.0 113.417 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -50.63 -47.7 58.35 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -82.87 -25.43 32.56 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.494 1.118 . . . . 0.0 113.826 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t -97.95 -42.14 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.175 0.99 . . . . 0.0 112.059 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 13.05 77.85 Favored Glycine 0 CA--C 1.539 1.542 0 N-CA-C 116.748 1.459 . . . . 0.0 116.748 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.81 139.8 33.09 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.506 1.653 . . . . 0.0 112.482 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.84 -29.57 18.54 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.017 2.478 . . . . 0.0 113.623 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.55 -32.1 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.397 -0.814 . . . . 0.0 112.094 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.27 -44.15 95.92 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.219 -0.926 . . . . 0.0 111.519 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.97 95.64 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.597 -0.689 . . . . 0.0 112.518 172.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.44 -33.21 72.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.688 1.195 . . . . 0.0 113.107 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.28 -32.92 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.305 0.642 . . . . 0.0 112.711 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.12 -37.81 81.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.576 1.08 . . . . 0.0 112.193 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.74 -40.12 95.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.235 1.014 . . . . 0.0 112.478 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -66.22 -56.22 12.39 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.391 -0.818 . . . . 0.0 111.454 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.96 -26.76 68.73 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.25 -53.57 56.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.259 0.936 . . . . 0.0 112.4 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -67.0 -34.29 77.43 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.141 -0.974 . . . . 0.0 112.611 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -54.05 -41.21 67.86 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.654 1.116 . . . . 0.0 113.32 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -86.17 -30.0 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 127.179 2.192 . . . . 0.0 110.974 -172.489 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.97 -47.07 81.86 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.244 -0.91 . . . . 0.0 110.4 165.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CD2' HG21 ' B' ' 29' ' ' VAL . 26.6 m0 -64.1 -33.8 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.646 0.779 . . . . 0.0 112.417 171.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 2.3 tt -58.21 -51.31 70.29 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.725 1.148 . . . . 0.0 112.722 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.92 -43.29 98.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.397 0.679 . . . . 0.0 111.811 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.3 m -57.73 -34.27 69.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.706 0.802 . . . . 0.0 112.365 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.95 -9.81 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.799 1.64 . . . . 0.0 114.579 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.1 t30 . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 125.953 1.701 . . . . 0.0 113.865 174.798 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 35.8 p90 . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.037 0.446 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.54 -27.36 67.59 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -64.38 -43.05 95.7 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.993 -1.067 . . . . 0.0 112.052 171.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.43 -35.43 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.936 0.789 . . . . 0.0 111.579 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.04 -51.56 69.1 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.469 1.031 . . . . 0.0 111.214 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.11 -51.7 63.37 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.714 0.688 . . . . 0.0 112.416 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 0.28 4.91 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -108.15 -39.19 5.56 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.585 1.154 . . . . 0.0 112.034 167.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.07 -37.89 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.52 1.055 . . . . 0.0 112.632 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -28.46 57.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.06 0.944 . . . . 0.0 112.997 172.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.63 -49.61 72.59 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.815 -0.553 . . . . 0.0 110.255 168.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.09 46.09 0.13 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.637 1.975 . . . . 0.0 113.21 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 33.2 tpp -149.65 -48.06 0.14 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 112.101 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -53.94 -44.71 70.9 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.876 0.762 . . . . 0.0 112.663 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 -35.85 18.04 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.305 1.042 . . . . 0.0 111.825 176.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.5 -46.42 86.74 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.109 0.964 . . . . 0.0 110.592 -175.121 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -68.73 -28.64 67.0 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 173.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -75.57 -56.16 4.97 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.209 1.004 . . . . 0.0 112.149 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -20.88 66.53 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -50.68 -46.47 58.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.808 1.243 . . . . 0.0 113.922 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.71 -35.31 80.64 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -76.08 -42.05 48.56 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.677 0.791 . . . . 0.0 112.76 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.0 -37.29 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 118.427 0.558 . . . . 0.0 111.904 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.69 -13.85 39.88 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.13 1.348 . . . . 0.0 116.259 167.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.92 127.18 92.47 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.345 1.573 . . . . 0.0 111.522 175.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.67 -31.84 20.15 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.602 2.201 . . . . 0.0 113.425 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 43' ' ' TRP . 8.4 p -60.44 -28.01 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.876 0.871 . . . . 0.0 113.052 176.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.22 -40.18 93.03 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.258 1.023 . . . . 0.0 111.539 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.71 -35.46 78.83 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.93 -30.54 71.14 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.998 0.919 . . . . 0.0 113.28 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.35 -30.76 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.745 -0.597 . . . . 0.0 112.062 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.54 -35.12 78.41 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.07 -1.019 . . . . 0.0 112.113 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.95 -45.94 86.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.964 1.306 . . . . 0.0 111.972 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.46 -52.76 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.619 0.768 . . . . 0.0 111.976 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.29 -28.21 68.52 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.313 -0.867 . . . . 0.0 112.573 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.66 -45.97 84.49 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.044 -1.035 . . . . 0.0 111.846 171.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -45.67 93.33 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 171.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -56.55 -37.49 70.59 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.499 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 15.8 tt -88.44 -26.17 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.261 1.824 . . . . 0.0 111.955 -173.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.86 -45.38 82.32 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.316 -0.865 . . . . 0.0 110.532 162.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -63.66 -32.82 74.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.499 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 3.0 tt -55.7 -55.61 30.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.231 1.012 . . . . 0.0 113.055 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.53 -29.08 70.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.271 1.028 . . . . 0.0 113.469 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -16.19 46.39 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.041 1.737 . . . . 0.0 114.664 177.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.7 mm -92.96 -5.43 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 126.867 2.067 . . . . 0.0 112.783 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 127.101 2.16 . . . . 0.0 114.789 -175.613 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.97 ' CE2' HG21 ' B' ' 25' ' ' VAL . 2.6 t80 . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 110.832 -0.062 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -27.18 67.41 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.511 0.724 . . . . 0.0 112.789 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -58.69 -47.9 82.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.109 0.868 . . . . 0.0 111.012 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' OE2' ' CD2' ' B' ' 17' ' ' LEU . 0.1 OUTLIER -60.24 -19.28 53.88 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.311 1.444 . . . . 0.0 113.478 173.619 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.577 HD13 ' CE1' ' B' ' 18' ' ' TYR . 21.9 mt -91.59 -44.85 8.81 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.67 0.788 . . . . 0.0 112.257 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.58 -51.52 62.7 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.46 -1.4 . . . . 0.0 112.365 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -0.96 2.37 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 172.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.189 ' CD1' ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -103.74 -50.13 3.49 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 127.163 2.185 . . . . 0.0 108.517 175.252 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.85 -37.53 26.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.157 0.89 . . . . 0.0 110.808 -166.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.14 -28.42 65.35 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.547 1.139 . . . . 0.0 112.822 169.266 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.18 -51.5 20.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.216 1.007 . . . . 0.0 110.711 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 1.131 ' HB2' ' CD1' ' B' ' 10' ' ' LEU . . . -68.74 52.03 0.08 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.079 2.951 . . . . 0.0 112.978 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.2 tpp -160.62 -53.1 0.05 Allowed 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 126.348 1.859 . . . . 0.0 108.324 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -56.82 -43.8 81.38 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.057 1.298 . . . . 0.0 112.173 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 -36.06 22.23 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.73 0.812 . . . . 0.0 111.086 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.622 ' CE1' HD13 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -58.9 -50.51 73.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.365 0.416 . . . . 0.0 110.436 177.734 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.82 63.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 175.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.31 -59.19 2.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.743 1.217 . . . . 0.0 111.267 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 1.532 ' HB3' ' CZ ' ' B' ' 3' ' ' TYR . . . -61.2 -37.46 83.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.044 0.538 . . . . 0.0 112.053 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -53.92 -40.67 66.93 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -59.62 -42.14 92.02 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.197 0.999 . . . . 0.0 112.637 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -74.88 -40.72 60.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.703 1.201 . . . . 0.0 112.35 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 21' ' ' ALA . 79.5 t -65.48 -49.64 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.25 1.42 . . . . 0.0 111.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.52 34.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.594 1.092 . . . . 0.0 114.568 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.8 136.49 20.0 Favored Pre-proline 0 N--CA 1.478 0.937 0 CA-C-N 118.77 1.285 . . . . 0.0 112.22 178.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.86 -40.95 2.36 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.72 2.28 . . . . 0.0 112.001 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -65.32 -31.67 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.365 0.666 . . . . 0.0 112.2 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.757 ' CD1' HG12 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -70.82 -39.99 72.71 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.762 0.825 . . . . 0.0 111.415 176.644 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.35 83.84 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.418 -0.801 . . . . 0.0 111.958 168.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -66.53 -34.07 77.09 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.919 -1.113 . . . . 0.0 113.125 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' B' ' 40' ' ' HIS . 14.7 mt -59.36 -47.41 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.056 -1.028 . . . . 0.0 111.628 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -34.18 72.82 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 118.898 0.772 . . . . 0.0 111.253 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.99 93.85 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.409 -1.432 . . . . 0.0 112.713 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.59 -33.45 74.07 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.139 -0.975 . . . . 0.0 112.903 171.656 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -67.77 6.26 0.7 Allowed 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' HG22 ' A' ' 41' ' ' ILE . 3.6 mm-40 -98.99 -49.92 4.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 128.272 2.629 . . . . 0.0 108.546 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -57.15 -35.07 69.07 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.776 -1.202 . . . . 0.0 111.81 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -60.77 -4.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.017 2.527 . . . . 0.0 117.712 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -121.54 -26.62 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 121.292 1.86 . . . . 0.0 111.507 176.541 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.68 -50.14 33.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.495 1.118 . . . . 0.0 111.119 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.81 -26.86 62.57 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.693 0.797 . . . . 0.0 112.751 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 7' ' ' LEU . 1.4 tt -55.46 -55.93 26.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.269 1.427 . . . . 0.0 112.687 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -39.31 93.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.595 -0.69 . . . . 0.0 111.442 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -59.44 -24.93 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.921 0.888 . . . . 0.0 112.759 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -9.34 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.466 1.506 . . . . 0.0 114.043 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 CA--C 1.551 1.002 0 C-N-CA 125.96 1.704 . . . . 0.0 113.483 173.333 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 1.532 ' CZ ' ' HB3' ' A' ' 21' ' ' ALA . 7.3 t80 . . . . . 0 N--CA 1.466 0.344 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -30.24 71.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.284 0.634 . . . . 0.0 112.508 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -60.93 -50.08 74.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.755 1.222 . . . . 0.0 110.905 174.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -14.6 5.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.851 1.26 . . . . 0.0 114.042 172.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' B' ' 10' ' ' LEU . 23.2 mt -96.88 -46.47 6.22 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.501 ' CD2' HD13 ' B' ' 44' ' ' LEU . 1.0 OUTLIER -50.82 -50.22 56.96 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.536 -1.353 . . . . 0.0 113.071 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 17.23 0.45 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.699 1.6 . . . . 0.0 114.239 173.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 1.131 ' CD1' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -122.34 -44.11 2.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.665 2.386 . . . . 0.0 108.967 173.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -78.42 -50.37 11.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.708 1.203 . . . . 0.0 110.476 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.88 -24.05 64.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.124 0.97 . . . . 0.0 112.541 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -46.47 57.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.601 -1.312 . . . . 0.0 111.787 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 1.189 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . . . -68.4 -33.5 74.34 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 171.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -51.08 -41.01 59.68 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.781 0.832 . . . . 0.0 112.683 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -56.61 -48.38 77.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.924 0.89 . . . . 0.0 112.658 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.445 ' CD2' ' OE2' ' A' ' 6' ' ' GLU . 10.1 mt -67.63 -38.38 83.81 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.023 0.929 . . . . 0.0 110.873 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.577 ' CE1' HD13 ' A' ' 7' ' ' LEU . 6.2 m-85 -62.07 -31.85 72.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.295 1.438 . . . . 0.0 113.824 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -24.85 22.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.311 0.644 . . . . 0.0 112.526 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.16 -60.51 2.34 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.355 1.062 . . . . 0.0 111.441 -176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.91 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -84.77 63.17 7.85 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.21 1.404 . . . . 0.0 111.042 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -124.8 -50.7 1.71 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.741 1.216 . . . . 0.0 111.033 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.85 -32.08 72.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.835 1.254 . . . . 0.0 112.252 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -42.73 69.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.416 1.486 . . . . 0.0 113.203 173.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.97 HG21 ' CE2' ' A' ' 3' ' ' TYR . 41.7 t -75.11 -47.27 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.083 0.953 . . . . 0.0 111.773 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.15 48.67 Favored Glycine 0 CA--C 1.539 1.567 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.3 137.1 19.82 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 118.355 1.078 . . . . 0.0 111.549 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.67 -42.08 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.951 2.434 . . . . 0.0 112.137 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.17 -23.82 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.542 HD11 ' OH ' ' A' ' 3' ' ' TYR . 1.7 tt -59.63 -41.9 91.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.768 -1.208 . . . . 0.0 112.129 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.68 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -78.95 -34.66 44.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.324 1.45 . . . . 0.0 112.821 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.47 -45.73 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.421 1.088 . . . . 0.0 111.216 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -31.57 71.4 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.813 0.445 . . . . 0.0 111.841 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -40.64 70.13 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.638 1.575 . . . . 0.0 112.903 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.57 -34.73 78.93 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.658 -1.276 . . . . 0.0 112.179 170.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -67.21 -7.87 27.19 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 168.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -49.5 17.54 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.097 -1.627 . . . . 0.0 112.255 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -36.04 68.75 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 174.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.576 ' CD2' HG12 ' A' ' 33' ' ' ILE . 17.7 m170 -64.19 -4.3 3.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 128.136 2.574 . . . . 0.0 117.347 175.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.75 -31.19 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 120.043 1.292 . . . . 0.0 111.384 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.23 -50.6 63.22 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.405 -0.809 . . . . 0.0 111.412 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -67.35 -27.42 67.11 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' B' ' 8' ' ' TYR . 0.3 OUTLIER -59.64 -55.4 34.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.585 1.154 . . . . 0.0 112.915 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.81 -39.94 93.51 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.376 -0.827 . . . . 0.0 111.416 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -59.3 -21.61 59.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.248 1.019 . . . . 0.0 113.017 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.757 HG12 ' CD1' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -69.78 -12.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.262 1.425 . . . . 0.0 114.344 175.176 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 37.7 t30 . . . . . 0 N--CA 1.471 0.611 0 C-N-CA 125.489 1.516 . . . . 0.0 112.606 175.7 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -54.97 -26.91 39.84 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -159.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -58.88 -38.8 79.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.054 1.297 . . . . 0.0 112.608 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.31 -25.79 64.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.163 0.985 . . . . 0.0 112.802 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' B' ' 17' ' ' LEU . 51.2 mt -76.78 -48.29 19.07 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.948 0.899 . . . . 0.0 110.821 172.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -46.88 76.66 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.831 1.253 . . . . 0.0 112.264 174.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.18 7.68 3.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.408 1.483 . . . . 0.0 114.456 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.2 mt -114.65 -43.62 3.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 161.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.3 -37.27 60.91 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.339 1.427 . . . . 0.0 113.082 -171.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -78.01 -33.22 51.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.566 -1.333 . . . . 0.0 112.41 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.45 -42.01 90.98 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.218 1.007 . . . . 0.0 111.522 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.889 ' CB ' HD21 ' B' ' 10' ' ' LEU . . . -60.18 -50.9 71.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.617 1.167 . . . . 0.0 112.11 169.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttm -54.52 -42.37 70.77 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -54.03 -38.47 65.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.93 -40.64 14.63 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.232 1.413 . . . . 0.0 111.407 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.25 -39.86 80.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.482 1.113 . . . . 0.0 111.523 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -25.85 51.99 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -71.35 -54.11 11.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.172 0.986 . . . . 0.0 110.562 173.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.23 40.48 0.35 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.517 1.927 . . . . 0.0 113.551 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -110.7 -54.12 2.62 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.251 1.021 . . . . 0.0 109.833 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.56 -37.59 84.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.955 . . . . 0.0 112.884 175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.61 -18.41 61.05 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -113.56 -39.08 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 118.969 0.804 . . . . 0.0 112.612 -168.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.37 -8.17 20.09 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 167.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.99 129.74 94.09 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.676 1.738 . . . . 0.0 112.252 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.72 -26.7 19.08 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.767 2.311 . . . . 0.0 113.412 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 ' CE3' ' B' ' 43' ' ' TRP . 9.4 p -66.93 -30.08 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.05 -1.031 . . . . 0.0 112.482 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.29 -40.75 95.31 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.39 171.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.3 79.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.226 -0.921 . . . . 0.0 112.919 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -68.81 -34.05 74.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.168 -0.957 . . . . 0.0 113.503 172.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 ' CD2' ' B' ' 40' ' ' HIS . 47.4 mt -57.39 -41.72 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.656 165.673 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.74 -40.98 85.4 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.501 1.501 . . . . 0.0 112.949 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.59 -37.69 80.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.986 1.314 . . . . 0.0 113.036 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.34 -50.04 56.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.21 1.004 . . . . 0.0 112.258 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -66.81 -29.65 69.65 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.204 -0.935 . . . . 0.0 111.421 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.82 -48.3 82.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.006 1.275 . . . . 0.0 112.366 169.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.73 -42.81 75.87 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.631 0.772 . . . . 0.0 112.057 171.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' HG23 ' B' ' 33' ' ' ILE . 37.4 m170 -60.03 -34.57 73.56 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 116.869 -1.538 . . . . 0.0 114.485 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 49.9 mm -74.58 -39.79 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.561 1.944 . . . . 0.0 110.661 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.08 -43.66 98.55 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.39 -0.818 . . . . 0.0 110.452 173.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.546 ' HE3' HD11 ' B' ' 33' ' ' ILE . 43.4 m0 -66.85 -33.02 74.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.054 0.941 . . . . 0.0 112.615 170.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.7 tt -58.67 -52.12 67.03 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.495 1.118 . . . . 0.0 112.785 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.2 -41.81 84.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.679 0.792 . . . . 0.0 111.556 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.2 m -62.68 -28.42 69.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.591 1.157 . . . . 0.0 113.453 173.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.41 -9.78 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 CA--C 1.547 0.86 0 C-N-CA 125.75 1.62 . . . . 0.0 114.057 174.098 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 p90 . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -57.67 -34.77 69.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.358 1.463 . . . . 0.0 114.322 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -61.4 -43.62 98.55 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 111.902 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.47 -30.64 71.02 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.077 0.951 . . . . 0.0 112.658 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.91 -47.31 75.19 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.729 1.15 . . . . 0.0 111.757 168.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.09 -49.48 71.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.569 0.748 . . . . 0.0 112.034 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.29 4.45 0.71 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.889 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.49 -46.12 2.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.545 1.938 . . . . 0.0 110.844 172.446 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.91 -39.2 72.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.767 1.167 . . . . 0.0 111.156 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -29.37 65.24 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.222 -0.923 . . . . 0.0 113.461 169.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.31 -42.56 79.25 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.124 -0.985 . . . . 0.0 111.964 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.11 96.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.469 0.708 . . . . 0.0 111.956 171.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 37.0 tpp -55.54 -39.04 70.07 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.76 -47.33 77.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.996 0.918 . . . . 0.0 112.855 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' ' 7' ' ' LEU . 59.0 mt -69.72 -42.34 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.147 0.979 . . . . 0.0 111.259 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.03 -38.77 83.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.047 0.939 . . . . 0.0 112.191 175.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -78.22 -30.14 48.69 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.553 1.069 . . . . 0.0 112.96 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -45.64 82.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.375 0.989 . . . . 0.0 109.775 174.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.48 -33.65 76.03 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.395 1.078 . . . . 0.0 113.649 171.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t -66.63 -48.34 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.054 -1.029 . . . . 0.0 112.091 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.66 -26.03 68.21 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.775 1.23 . . . . 0.0 113.462 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -31.52 12.16 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.32 -50.97 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.406 1.003 . . . . 0.0 112.743 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.18 93.77 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.228 0.851 . . . . 0.0 115.228 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -52.7 138.45 42.3 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 118.223 1.012 . . . . 0.0 111.807 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.07 -19.86 38.84 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.307 2.005 . . . . 0.0 117.223 -168.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -90.72 -26.31 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 121.187 1.812 . . . . 0.0 111.694 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.85 -43.43 98.86 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.801 -1.187 . . . . 0.0 110.455 168.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -9.58 17.82 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.362 1.865 . . . . 0.0 115.558 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -20.17 10.63 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.686 1.13 . . . . 0.0 113.802 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 40' ' ' HIS . 71.9 mt -63.15 -40.19 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.169 -0.957 . . . . 0.0 110.699 166.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.52 -21.82 65.83 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -80.87 -41.49 23.06 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.078 1.351 . . . . 0.0 112.214 168.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.25 -48.2 82.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.465 1.106 . . . . 0.0 112.534 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -66.83 -19.03 65.66 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.507 -0.745 . . . . 0.0 112.136 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -68.19 -44.49 75.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.951 -1.093 . . . . 0.0 111.933 171.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.86 -45.7 89.51 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.091 -0.381 . . . . 0.0 110.397 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.552 ' CD2' HG12 ' A' ' 33' ' ' ILE . 27.0 m170 -58.36 -42.8 87.74 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.436 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 16.2 tt -82.11 -26.88 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.372 1.869 . . . . 0.0 111.999 -174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.17 -49.4 75.98 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.555 -0.715 . . . . 0.0 110.048 163.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.457 ' CE3' HG22 ' A' ' 29' ' ' VAL . 30.3 m0 -64.54 -32.43 74.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.82 0.848 . . . . 0.0 113.254 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 3.4 tt -57.95 -50.28 73.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.528 1.131 . . . . 0.0 112.712 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -58.13 -40.35 81.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.189 0.595 . . . . 0.0 112.006 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.87 -24.2 64.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.614 1.165 . . . . 0.0 113.544 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.82 -11.14 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 120.236 1.38 . . . . 0.0 112.852 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.3 t30 . . . . . 0 CA--C 1.551 0.982 0 C-N-CA 125.233 1.413 . . . . 0.0 113.917 170.201 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.33 -39.51 83.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.939 1.296 . . . . 0.0 113.067 -176.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -54.36 -40.96 68.61 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -32.57 74.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.75 0.705 . . . . 0.0 112.835 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.4 mt -67.98 -48.74 64.95 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.519 0.728 . . . . 0.0 110.828 172.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -49.86 48.21 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.564 1.146 . . . . 0.0 112.599 170.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -58.38 -15.19 9.63 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.325 1.85 . . . . 0.0 115.709 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -106.13 -41.38 5.37 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.408 1.883 . . . . 0.0 110.943 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.92 -35.57 64.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.118 0.967 . . . . 0.0 112.242 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.12 -28.87 62.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.391 0.996 . . . . 0.0 112.994 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -52.25 60.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.825 0.85 . . . . 0.0 110.404 168.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.34 40.22 0.05 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 127.119 2.168 . . . . 0.0 113.676 168.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.7 tpp -139.32 -52.08 0.54 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.497 1.519 . . . . 0.0 111.899 173.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.94 -33.7 67.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.441 0.696 . . . . 0.0 112.724 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -80.57 -36.52 32.83 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 127.759 2.423 . . . . 0.0 113.373 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.68 -38.87 64.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.11 -168.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -35.01 77.45 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 162.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.55 -53.53 27.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.621 1.101 . . . . 0.0 112.371 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.71 84.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.998 0.919 . . . . 0.0 112.738 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t -58.48 -46.26 86.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.259 0.624 . . . . 0.0 112.605 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.97 -27.83 69.67 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -79.82 -50.21 10.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.121 0.968 . . . . 0.0 111.487 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.18 -37.17 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.301 1.04 . . . . 0.0 112.427 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.73 29.79 64.88 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 123.996 0.808 . . . . 0.0 115.111 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.11 133.63 20.45 Favored Pre-proline 0 N--CA 1.474 0.749 0 CA-C-N 118.557 1.179 . . . . 0.0 111.419 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -67.56 -37.18 17.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.357 2.038 . . . . 0.0 112.876 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.38 -28.1 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.133 1.333 . . . . 0.0 113.133 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -42.39 92.22 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.07 -1.019 . . . . 0.0 111.095 170.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -12.79 55.86 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -29.24 14.86 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.999 1.272 . . . . 0.0 113.201 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.526 HG23 ' CG ' ' B' ' 40' ' ' HIS . 60.8 mt -58.4 -46.84 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 111.706 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.2 -31.56 72.81 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.02 79.41 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.665 1.186 . . . . 0.0 113.046 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -76.09 -36.53 58.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.222 1.009 . . . . 0.0 112.848 175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.68 -23.99 67.4 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.006 -1.059 . . . . 0.0 112.473 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.91 -48.24 81.34 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.641 -1.287 . . . . 0.0 112.095 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -45.55 86.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.094 0.558 . . . . 0.0 110.467 174.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' B' ' 33' ' ' ILE . 35.6 m170 -57.81 -35.5 70.94 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 124.473 1.109 . . . . 0.0 113.835 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 6.9 mm -77.79 -42.94 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 128.384 2.674 . . . . 0.0 110.619 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.83 -45.64 92.93 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.761 -0.587 . . . . 0.0 110.564 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.599 ' CD2' HG21 ' B' ' 29' ' ' VAL . 40.7 m0 -62.11 -35.57 79.11 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.613 0.765 . . . . 0.0 112.308 170.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -58.43 -56.59 20.21 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.305 0.957 . . . . 0.0 112.056 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.05 -41.96 99.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.46 1.104 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -58.2 -36.65 73.42 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.183 0.993 . . . . 0.0 112.808 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -89.99 -7.51 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 125.419 1.487 . . . . 0.0 113.936 -176.758 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -57.82 -34.8 70.05 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.176 1.79 . . . . 0.0 112.584 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.41 -44.3 95.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.876 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.97 -32.69 73.16 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.926 1.239 . . . . 0.0 112.717 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.51 -51.77 57.56 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.411 0.685 . . . . 0.0 110.512 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.06 -50.2 59.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.537 1.535 . . . . 0.0 112.803 171.395 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -68.28 -2.38 8.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.744 2.018 . . . . 0.0 114.93 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -105.8 -45.32 4.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.637 1.175 . . . . 0.0 111.65 163.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.29 -43.28 74.13 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.423 1.01 . . . . 0.0 112.821 -173.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.47 -34.2 67.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.439 -1.413 . . . . 0.0 112.767 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -60.29 -47.66 85.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 110.86 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -56.39 -47.53 78.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.98 1.312 . . . . 0.0 112.405 173.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -53.27 -47.31 69.25 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -58.16 -32.44 68.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.893 1.277 . . . . 0.0 113.278 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.67 -39.42 14.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.951 1.7 . . . . 0.0 111.597 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.96 -40.5 89.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.124 0.57 . . . . 0.0 111.176 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -70.49 -32.46 69.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.802 1.241 . . . . 0.0 114.149 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.11 -51.94 27.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.952 0.882 . . . . 0.0 110.434 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 59.68 4.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.33 1.452 . . . . 0.0 111.786 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -125.24 -50.15 1.67 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.214 1.006 . . . . 0.0 111.83 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.24 -39.45 78.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.379 1.071 . . . . 0.0 111.799 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -32.81 70.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.505 1.122 . . . . 0.0 112.748 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.5 -41.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.499 1.12 . . . . 0.0 111.645 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.8 83.29 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.386 1.469 . . . . 0.0 116.612 167.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -83.23 136.09 43.76 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 119.411 1.605 . . . . 0.0 112.474 -177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.39 -35.58 4.78 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.831 2.354 . . . . 0.0 113.716 -170.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.599 HG21 ' CD2' ' A' ' 43' ' ' TRP . 9.0 p -65.45 -28.7 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.041 0.837 . . . . 0.0 112.274 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.85 -42.47 84.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.975 1.31 . . . . 0.0 112.003 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.72 -23.62 67.31 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 174.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -94.14 -25.7 17.01 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.569 1.148 . . . . 0.0 113.124 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.614 HG12 ' CD2' ' A' ' 40' ' ' HIS . 43.2 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.989 . . . . 0.0 110.157 168.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 77.6 mt -53.06 -46.89 68.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.314 1.046 . . . . 0.0 112.832 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -37.53 84.17 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.823 1.649 . . . . 0.0 112.565 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -71.2 -41.41 70.3 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.573 1.149 . . . . 0.0 111.99 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.28 -12.74 58.2 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.44 -42.74 64.69 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.953 -1.717 . . . . 0.0 112.784 171.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.41 -39.3 72.82 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.486 -0.759 . . . . 0.0 110.714 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.526 ' CG ' HG23 ' A' ' 33' ' ' ILE . 25.6 m170 -67.42 -3.2 7.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.359 1.863 . . . . 0.0 115.538 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.0 mm -114.85 -40.12 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.821 1.649 . . . . 0.0 110.041 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.88 -52.09 65.54 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.249 -0.907 . . . . 0.0 111.836 173.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -63.23 -31.2 72.29 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.853 -0.53 . . . . 0.0 112.068 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -58.15 9.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.977 1.311 . . . . 0.0 111.788 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.14 -41.32 96.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.742 0.817 . . . . 0.0 111.467 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 68.3 m -58.03 -49.83 75.51 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.662 0.785 . . . . 0.0 112.285 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.9 mm -72.33 -8.42 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.0 t30 . . . . . 0 CA--C 1.549 0.936 0 C-N-CA 126.689 1.995 . . . . 0.0 113.437 173.897 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE1' HD22 ' B' ' 17' ' ' LEU . 7.1 p90 . . . . . 0 CA--C 1.556 1.175 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -23.03 64.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 118.005 2.595 . . . . 0.0 118.005 -149.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -55.15 -36.77 66.16 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.03 -29.23 69.55 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.466 1.03 . . . . 0.0 113.231 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.37 -47.03 29.43 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.468 1.107 . . . . 0.0 111.829 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -49.34 37.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.756 0.822 . . . . 0.0 112.409 166.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -69.79 4.98 1.66 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -115.72 -42.19 3.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.168 1.387 . . . . 0.0 111.446 166.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.466 ' OE2' ' OH ' ' B' ' 18' ' ' TYR . 6.1 mm-40 -71.99 -42.53 66.37 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.42 -0.8 . . . . 0.0 112.365 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -73.04 -30.19 63.55 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.97 -1.081 . . . . 0.0 111.959 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -42.83 99.58 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.122 -0.986 . . . . 0.0 111.879 172.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.74 85.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.202 0.601 . . . . 0.0 111.968 171.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.8 tpp -53.21 -44.31 67.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.447 1.099 . . . . 0.0 113.429 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -54.13 -35.82 62.61 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.182 1.393 . . . . 0.0 113.714 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.1 mt -87.23 -38.71 16.09 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.158 1.383 . . . . 0.0 111.069 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.97 -22.94 67.15 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -88.05 -10.09 51.34 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 170.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -103.22 -57.61 2.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.509 1.124 . . . . 0.0 110.52 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.44 59.12 1.41 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.492 1.917 . . . . 0.0 111.492 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -133.97 -49.99 0.82 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.209 1.403 . . . . 0.0 111.573 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.79 -31.57 64.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.153 0.581 . . . . 0.0 111.863 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -79.95 -28.29 39.65 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.859 1.264 . . . . 0.0 113.038 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -85.23 -48.24 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.166 0.986 . . . . 0.0 111.869 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -8.75 70.46 Favored Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.53 140.08 92.09 Favored Pre-proline 0 CA--C 1.551 1.012 0 CA-C-N 119.649 1.724 . . . . 0.0 113.548 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.17 -34.16 6.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.234 2.623 . . . . 0.0 113.589 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p -63.46 -25.3 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.226 -0.921 . . . . 0.0 112.708 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -34.14 72.96 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.353 1.061 . . . . 0.0 112.043 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -21.06 61.53 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 171.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 11.7 mmpt? -83.31 -33.99 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.812 1.245 . . . . 0.0 112.452 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' B' ' 40' ' ' HIS . 24.2 mm -51.14 -55.16 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.704 0.802 . . . . 0.0 111.131 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.22 -27.13 67.74 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -76.69 -23.9 53.16 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.872 -1.142 . . . . 0.0 113.9 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -77.07 -43.8 33.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.18 0.992 . . . . 0.0 111.432 167.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.95 -20.17 64.97 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.972 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -56.19 -51.96 66.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.803 -1.186 . . . . 0.0 111.958 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -59.92 -38.46 82.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.745 0.818 . . . . 0.0 111.153 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.977 ' CE1' HG23 ' B' ' 33' ' ' ILE . 29.9 m170 -67.98 -8.96 41.66 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -110.1 -37.23 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 109.729 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.53 -50.69 72.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.755 0.822 . . . . 0.0 111.059 172.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.989 ' CE2' HG21 ' B' ' 29' ' ' VAL . 31.1 m0 -65.61 -32.84 74.63 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.853 0.861 . . . . 0.0 112.442 172.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.92 -56.37 23.18 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.115 0.966 . . . . 0.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.23 -42.18 90.44 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.195 0.998 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 m -59.09 -23.83 62.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.329 1.052 . . . . 0.0 113.186 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.723 HD13 HD12 ' B' ' 30' ' ' LEU . 85.2 mt -103.33 -17.31 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 120.136 1.335 . . . . 0.0 112.464 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.2 t30 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 126.218 1.807 . . . . 0.0 113.195 172.529 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 121.421 0.629 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 7' ' ' LEU . 2.4 pp -52.92 -30.79 36.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.052 1.741 . . . . 0.0 114.867 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -37.96 71.97 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.49 -1.381 . . . . 0.0 112.81 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.7 -36.99 86.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.79 1.177 . . . . 0.0 111.774 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 4' ' ' LEU . 95.8 mt -59.84 -53.42 58.14 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.835 0.743 . . . . 0.0 111.636 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -51.13 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.083 0.953 . . . . 0.0 112.903 168.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.5 7.97 2.06 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.542 1.537 . . . . 0.0 114.958 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -115.54 -40.05 3.46 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.683 1.593 . . . . 0.0 111.05 165.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.19 -44.85 64.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.933 0.893 . . . . 0.0 111.515 -177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -74.98 -29.46 60.91 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.019 . . . . 0.0 113.136 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.7 -41.29 88.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.163 -0.961 . . . . 0.0 112.309 170.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.47 89.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.169 0.588 . . . . 0.0 111.735 170.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.1 ttm -54.24 -39.99 67.3 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.32 -46.49 89.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.392 0.677 . . . . 0.0 111.81 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.453 HD22 ' CE1' ' A' ' 3' ' ' TYR . 57.4 mt -67.43 -38.65 84.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.945 1.298 . . . . 0.0 111.267 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.466 ' OH ' ' OE2' ' A' ' 11' ' ' GLU . 3.7 m-85 -64.15 -10.66 24.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.312 1.445 . . . . 0.0 114.406 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.77 -10.28 11.11 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 170.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -50.47 12.02 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.138 0.975 . . . . 0.0 112.823 -175.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.31 -28.25 10.5 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.158 0.983 . . . . 0.0 113.281 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -54.51 -44.63 72.9 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.025 0.93 . . . . 0.0 112.178 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.09 -31.39 71.83 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.679 1.192 . . . . 0.0 113.567 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -81.63 -39.8 23.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.241 1.016 . . . . 0.0 112.932 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.66 -35.71 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.228 1.011 . . . . 0.0 111.775 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.91 87.27 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.322 1.439 . . . . 0.0 115.427 174.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.85 126.1 92.19 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 118.873 1.336 . . . . 0.0 112.018 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.46 -34.56 2.6 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.213 1.942 . . . . 0.0 114.983 -170.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.989 HG21 ' CE2' ' A' ' 43' ' ' TRP . 11.2 p -72.36 -31.05 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 120.255 1.389 . . . . 0.0 110.986 174.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -65.78 -39.22 90.78 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.448 -0.782 . . . . 0.0 111.238 174.179 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.41 89.19 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 168.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.594 ' HE2' ' CH2' ' A' ' 43' ' ' TRP . 11.9 pttt -67.23 -23.88 65.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.981 HD11 ' HE3' ' A' ' 43' ' ' TRP . 15.1 mt -61.6 -41.44 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.576 1.08 . . . . 0.0 112.537 178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -22.07 66.25 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.11 -31.44 72.58 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.206 1.803 . . . . 0.0 114.002 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -74.66 -38.27 62.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.352 0.661 . . . . 0.0 110.919 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.41 -23.32 67.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.854 0.862 . . . . 0.0 112.523 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.06 -45.71 92.35 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.739 -1.226 . . . . 0.0 112.091 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.77 -39.28 93.89 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.684 -0.635 . . . . 0.0 110.632 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.471 ' CD2' HD13 ' A' ' 33' ' ' ILE . 26.6 m170 -61.41 -24.67 66.67 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 mm -84.67 -42.3 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 127.251 2.22 . . . . 0.0 110.083 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.64 -45.46 93.93 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.338 -0.851 . . . . 0.0 111.202 170.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -67.54 -28.1 67.52 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.59 1.156 . . . . 0.0 113.117 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -50.32 74.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.256 0.934 . . . . 0.0 112.19 172.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.18 -44.2 97.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 111.005 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.8 m -58.08 -32.99 68.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.429 1.092 . . . . 0.0 112.753 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -9.43 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.421 1.488 . . . . 0.0 114.742 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 CA--C 1.547 0.857 0 C-N-CA 126.047 1.739 . . . . 0.0 113.599 -178.571 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 14.5 p90 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.34 -19.24 0.77 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -55.95 -40.05 72.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.66 1.573 . . . . 0.0 111.926 168.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.88 -33.68 76.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.571 1.078 . . . . 0.0 112.619 176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.581 HD22 ' CE1' ' B' ' 18' ' ' TYR . 89.1 mt -64.49 -48.41 75.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.637 0.653 . . . . 0.0 111.345 170.382 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.91 0.884 . . . . 0.0 112.311 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -71.55 2.54 4.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -111.33 -42.69 3.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.016 1.326 . . . . 0.0 112.334 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.68 -38.95 53.59 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.13 0.877 . . . . 0.0 112.384 -172.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.96 -27.98 61.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.475 -0.766 . . . . 0.0 112.471 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -51.43 69.94 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.633 -0.667 . . . . 0.0 111.369 164.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.44 42.72 0.1 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.581 1.952 . . . . 0.0 113.872 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.28 -43.02 0.14 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.738 1.615 . . . . 0.0 112.434 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -59.82 -41.2 90.79 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.524 0.73 . . . . 0.0 112.631 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 -32.38 18.02 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.491 1.116 . . . . 0.0 111.58 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD2' HD22 ' B' ' 7' ' ' LEU . 0.1 OUTLIER -59.7 -41.27 90.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.091 0.556 . . . . 0.0 111.145 -177.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -64.29 -36.19 83.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.12 -46.17 68.33 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.101 1.36 . . . . 0.0 110.832 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.1 84.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.626 1.171 . . . . 0.0 111.798 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t -57.38 -45.92 83.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.617 0.767 . . . . 0.0 112.867 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.61 -33.79 70.42 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -89.34 -39.97 13.09 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.43 -37.81 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.16 0.984 . . . . 0.0 111.789 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.44 5.21 66.89 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.751 1.46 . . . . 0.0 116.751 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.55 144.1 97.49 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.405 1.603 . . . . 0.0 112.624 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.17 -33.08 19.64 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.718 2.278 . . . . 0.0 113.061 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.61 -29.24 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.475 -0.765 . . . . 0.0 112.43 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.616 HD11 HG12 ' B' ' 47' ' ' ILE . 9.6 mp -68.21 -43.72 77.4 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.921 -1.112 . . . . 0.0 111.202 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.32 86.84 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.419 0.554 . . . . 0.0 111.924 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -57.01 -44.6 82.95 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 168.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.38 -36.12 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.207 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.09 -41.78 88.91 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.763 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -44.48 90.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.425 1.09 . . . . 0.0 111.942 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.07 -48.79 80.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.699 0.799 . . . . 0.0 112.107 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -68.2 -33.77 75.05 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.898 -1.126 . . . . 0.0 112.678 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -60.99 -43.42 98.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.391 1.451 . . . . 0.0 111.348 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.68 -38.54 85.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -58.05 -32.57 68.13 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 117.199 -1.381 . . . . 0.0 113.944 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 44.9 mm -75.29 -38.54 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 126.19 1.796 . . . . 0.0 110.772 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -43.72 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.097 -1.002 . . . . 0.0 110.478 171.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.453 ' CG ' HG21 ' B' ' 29' ' ' VAL . 39.5 m0 -64.67 -33.52 76.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.402 0.681 . . . . 0.0 112.689 170.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.4 tt -60.1 -50.11 74.99 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.519 1.128 . . . . 0.0 111.935 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.94 -46.4 88.09 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.533 1.133 . . . . 0.0 110.919 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -31.75 68.62 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -6.4 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 CA--C 1.548 0.896 0 C-N-CA 125.449 1.5 . . . . 0.0 114.193 166.941 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -64.98 -18.01 64.9 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -66.17 -36.94 84.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.47 1.032 . . . . 0.0 112.162 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.73 -46.69 86.81 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.784 0.834 . . . . 0.0 111.666 167.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 18' ' ' TYR . 63.9 mt -60.91 -44.93 96.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.326 0.512 . . . . 0.0 111.731 178.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.502 ' HA ' HD21 ' B' ' 44' ' ' LEU . 1.2 t80 -56.49 -54.41 46.07 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.691 1.196 . . . . 0.0 112.489 174.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -74.0 -1.69 20.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 mt -96.96 -43.24 7.54 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.25 1.42 . . . . 0.0 111.905 164.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.8 -36.08 72.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.853 1.206 . . . . 0.0 111.856 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.85 -27.18 65.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.3 -0.875 . . . . 0.0 113.209 169.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -75.73 -46.34 31.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.72 0.808 . . . . 0.0 111.627 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.4 51.42 0.25 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.201 2.2 . . . . 0.0 112.206 169.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.73 -50.5 0.11 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.384 1.874 . . . . 0.0 112.072 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -48.69 -45.18 38.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.242 1.017 . . . . 0.0 112.588 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.15 -48.11 63.22 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.262 1.025 . . . . 0.0 111.523 -175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.581 ' CE1' HD22 ' A' ' 7' ' ' LEU . 25.8 m-85 -58.27 -33.2 69.14 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.215 1.006 . . . . 0.0 113.239 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -6.34 47.58 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.45 -53.95 4.21 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.551 1.069 . . . . 0.0 110.39 170.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.419 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -75.67 -1.16 23.45 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 0.0 114.7 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -54.1 -50.54 66.61 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.196 1.362 . . . . 0.0 114.175 -174.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.31 -22.61 64.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -88.08 -29.61 20.51 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.996 1.319 . . . . 0.0 112.673 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 -42.22 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.383 1.073 . . . . 0.0 111.682 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.19 39.07 53.61 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.61 149.89 49.0 Favored Pre-proline 0 N--CA 1.48 1.059 0 CA-C-N 118.759 1.28 . . . . 0.0 113.013 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.31 -34.37 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.228 2.619 . . . . 0.0 113.21 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.453 HG21 ' CG ' ' A' ' 43' ' ' TRP . 8.5 p -65.11 -28.24 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.275 -0.89 . . . . 0.0 112.285 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.64 -45.26 93.63 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.822 1.649 . . . . 0.0 111.831 173.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.3 95.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.133 0.573 . . . . 0.0 112.338 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -64.58 -36.75 85.23 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.243 -0.911 . . . . 0.0 112.704 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.62 -45.05 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.334 1.054 . . . . 0.0 111.282 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -37.45 83.06 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.706 1.139 . . . . 0.0 111.697 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.49 -36.9 85.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.44 1.496 . . . . 0.0 113.41 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.66 -51.02 60.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.873 0.869 . . . . 0.0 112.225 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.86 -14.77 63.23 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -65.91 -61.81 1.85 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.873 1.269 . . . . 0.0 112.112 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -75.8 -17.59 59.81 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -57.74 -0.66 0.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.276 2.23 . . . . 0.0 115.621 162.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 tp -105.72 -31.51 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 120.676 1.58 . . . . 0.0 110.985 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -71.44 -50.62 29.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.275 1.03 . . . . 0.0 110.152 169.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -61.36 -26.58 67.92 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.926 0.89 . . . . 0.0 113.232 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' B' ' 8' ' ' TYR . 53.3 tp -81.05 -28.0 35.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.805 1.242 . . . . 0.0 113.421 173.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.1 -32.88 74.6 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.411 1.459 . . . . 0.0 110.838 164.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -57.16 -24.65 55.78 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.08 -1.012 . . . . 0.0 113.095 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.616 HG12 HD11 ' A' ' 30' ' ' LEU . 16.0 mt -67.18 -15.27 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 120.086 1.312 . . . . 0.0 114.035 177.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 . . . . . 0 CA--C 1.551 0.995 0 C-N-CA 126.162 1.785 . . . . 0.0 114.685 -175.188 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.962 ' CE2' HG21 ' B' ' 25' ' ' VAL . 4.0 t80 . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.47 -28.28 68.46 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -67.53 -45.71 74.92 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.142 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.59 -41.02 84.8 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.202 0.91 . . . . 0.0 111.906 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.977 HD21 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mp -60.68 -56.92 15.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.077 0.951 . . . . 0.0 112.984 171.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.22 -54.48 13.39 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.041 0.837 . . . . 0.0 113.025 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -75.99 3.33 10.52 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.89 -45.83 5.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.785 1.234 . . . . 0.0 111.309 158.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.541 ' OE2' ' OE2' ' B' ' 37' ' ' GLU . 3.0 mm-40 -75.82 -36.77 59.57 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.658 1.117 . . . . 0.0 112.805 -170.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.1 64.99 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.712 -1.242 . . . . 0.0 112.453 170.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.0 -42.6 98.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.251 0.62 . . . . 0.0 111.045 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.544 ' CB ' HD21 ' B' ' 10' ' ' LEU . . . -65.3 -39.16 92.15 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.804 1.242 . . . . 0.0 113.028 173.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttm -57.54 -42.07 82.19 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.292 0.951 . . . . 0.0 112.833 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.1 -30.69 64.57 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 171.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.83 -35.8 11.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.779 1.232 . . . . 0.0 111.14 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.2 m-85 -61.32 -40.13 93.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.063 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.96 -40.48 97.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 168.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.59 ' HG2' ' OH ' ' B' ' 3' ' ' TYR . 21.7 tt0 -76.77 -49.05 16.85 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.716 0.77 . . . . 0.0 112.452 -171.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.76 -42.15 88.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.133 0.973 . . . . 0.0 111.347 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -56.48 -49.65 74.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.017 0.826 . . . . 0.0 112.444 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.46 -30.23 60.18 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -99.84 -32.05 11.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.2 t -84.3 -34.62 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.826 1.25 . . . . 0.0 111.728 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.45 9.24 87.12 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.165 1.226 . . . . 0.0 116.165 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.22 135.38 44.48 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 119.015 1.408 . . . . 0.0 112.169 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.15 -34.79 21.26 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.818 2.345 . . . . 0.0 112.686 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.15 -34.69 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.325 -0.86 . . . . 0.0 112.139 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.679 HD12 HG12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -64.7 -40.08 94.76 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.474 -0.766 . . . . 0.0 111.537 175.741 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.18 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 170.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -67.37 -24.08 65.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.58 -39.29 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.001 0.819 . . . . 0.0 111.649 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -30.42 71.56 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.193 0.906 . . . . 0.0 112.885 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.02 -40.01 75.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.124 1.37 . . . . 0.0 113.065 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.35 -41.29 80.91 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.524 -0.735 . . . . 0.0 112.122 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' OE2' ' ND1' ' B' ' 40' ' ' HIS . 28.3 mm-40 -68.3 -3.67 11.74 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 174.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -84.84 -42.58 14.96 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.446 -1.409 . . . . 0.0 113.069 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -40.77 98.03 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.865 -1.147 . . . . 0.0 110.616 170.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.636 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 2.2 m170 -54.77 -9.41 0.34 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 129.851 3.261 . . . . 0.0 117.216 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.45 -26.67 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.204 1.402 . . . . 0.0 111.691 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.71 -55.75 23.87 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.173 -0.954 . . . . 0.0 110.952 163.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.479 ' CZ3' ' HE3' ' B' ' 32' ' ' LYS . 29.7 m0 -61.12 -33.69 73.78 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.31 0.644 . . . . 0.0 112.236 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -50.63 69.95 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.249 1.42 . . . . 0.0 112.558 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.54 -41.61 96.24 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -57.61 -37.19 72.83 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.598 0.759 . . . . 0.0 112.354 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -65.67 -11.35 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 C-N-CA 125.575 1.55 . . . . 0.0 114.429 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 t30 . . . . . 0 CA--C 1.551 0.996 0 C-N-CA 124.725 1.21 . . . . 0.0 113.849 170.887 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.59 ' OH ' ' HG2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -43.88 -36.03 2.22 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.955 2.502 . . . . 0.0 115.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -66.74 -35.07 79.24 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.268 1.394 . . . . 0.0 113.307 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.04 -36.95 84.63 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.448 1.022 . . . . 0.0 112.331 169.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -45.74 77.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.265 0.484 . . . . 0.0 111.761 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.45 -46.99 66.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.527 1.531 . . . . 0.0 111.954 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -66.16 1.57 1.47 Allowed 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.88 1.808 . . . . 0.0 115.88 172.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.544 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.94 -45.7 3.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.616 1.967 . . . . 0.0 110.165 173.524 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.487 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 9.6 mm-40 -74.72 -46.33 38.28 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.676 0.79 . . . . 0.0 111.501 -171.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.51 -31.99 72.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.259 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.74 -47.71 84.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.404 1.081 . . . . 0.0 111.785 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -39.27 92.56 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.538 -0.727 . . . . 0.0 112.637 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -37.6 74.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -55.53 -48.32 74.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.122 0.874 . . . . 0.0 111.87 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.18 -39.96 74.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.685 1.194 . . . . 0.0 111.995 -173.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.977 ' CE1' HD21 ' A' ' 7' ' ' LEU . 17.0 m-85 -60.86 -31.47 70.92 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -86.53 -30.5 21.88 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -70.22 -54.3 13.37 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.099 0.952 . . . . 0.0 111.358 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.539 ' CB ' ' CD1' ' A' ' 3' ' ' TYR . . . -80.37 41.17 0.52 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.425 1.89 . . . . 0.0 112.893 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -91.03 -54.37 3.98 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.358 -0.839 . . . . 0.0 111.065 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.51 -29.82 70.83 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -29.89 42.84 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.557 1.143 . . . . 0.0 113.321 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.962 HG21 ' CE2' ' A' ' 3' ' ' TYR . 84.7 t -92.54 -40.56 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.487 0.715 . . . . 0.0 112.458 -175.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.12 36.24 81.01 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 172.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.14 135.06 23.69 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.612 1.165 . . . . 0.0 111.178 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -66.5 -21.8 52.54 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.832 2.355 . . . . 0.0 114.996 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -30.02 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 120.502 1.501 . . . . 0.0 112.581 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.625 HD21 ' OH ' ' A' ' 3' ' ' TYR . 4.8 mp -59.04 -35.05 72.66 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.202 -0.937 . . . . 0.0 112.701 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.21 71.21 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.479 ' HE3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -83.26 -35.64 25.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.569 0.748 . . . . 0.0 110.841 172.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.79 -35.57 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.51 -41.01 75.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.37 1.068 . . . . 0.0 113.248 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.03 -42.27 98.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.202 1.001 . . . . 0.0 111.487 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.636 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 72.0 m-20 -57.94 -50.39 73.54 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.626 0.77 . . . . 0.0 111.38 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.541 ' OE2' ' OE2' ' A' ' 11' ' ' GLU . 29.6 mm-40 -68.83 -28.1 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.472 -0.767 . . . . 0.0 112.625 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.83 -35.68 77.26 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.816 -1.177 . . . . 0.0 113.332 170.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -43.96 77.79 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.81 -1.181 . . . . 0.0 109.987 172.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.549 ' ND1' ' OE2' ' A' ' 37' ' ' GLU . 50.6 m170 -56.38 -33.52 65.81 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.029 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.446 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -80.75 -34.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.479 1.912 . . . . 0.0 111.348 -175.384 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.26 -46.8 72.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.696 0.798 . . . . 0.0 109.872 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -61.84 -30.72 71.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.731 0.813 . . . . 0.0 112.593 171.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.1 tt -58.53 -55.36 36.0 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.05 0.94 . . . . 0.0 112.684 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -69.58 -29.74 67.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.01 0.924 . . . . 0.0 112.5 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.2 m -62.28 -29.97 70.8 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.364 -0.835 . . . . 0.0 112.156 170.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.679 HG12 HD12 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -68.45 -7.02 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -179.278 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 CA--C 1.546 0.797 0 C-N-CA 125.592 1.557 . . . . 0.0 114.854 175.936 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.8 mt -51.13 -34.37 30.61 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.87 2.468 . . . . 0.0 112.508 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.32 -43.33 61.06 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.409 -1.432 . . . . 0.0 112.028 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -39.74 92.2 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.367 1.067 . . . . 0.0 112.014 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.27 -54.74 43.57 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.072 1.349 . . . . 0.0 111.446 171.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -51.7 56.43 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.559 0.744 . . . . 0.0 112.965 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -1.74 13.89 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.9 -38.33 7.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.192 0.997 . . . . 0.0 111.485 166.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.45 -44.65 34.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.884 0.874 . . . . 0.0 112.113 -172.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.3 75.02 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.549 -0.719 . . . . 0.0 111.905 172.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.0 89.94 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.733 1.213 . . . . 0.0 112.704 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -45.26 79.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.511 0.724 . . . . 0.0 112.27 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -53.52 -41.74 66.67 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.576 1.151 . . . . 0.0 113.015 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -50.58 -35.91 32.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.823 1.649 . . . . 0.0 114.13 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.3 mt -92.29 -41.16 10.54 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.974 1.71 . . . . 0.0 110.971 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.916 ' CE1' HD22 ' B' ' 7' ' ' LEU . 12.5 m-85 -55.74 -43.15 76.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.583 0.753 . . . . 0.0 111.821 172.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -69.53 -29.45 67.06 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.276 -0.89 . . . . 0.0 113.181 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.49 -45.1 66.32 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.969 0.908 . . . . 0.0 110.699 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.98 76.14 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -62.59 -44.99 94.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.401 -0.812 . . . . 0.0 112.421 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -64.66 -35.99 82.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.627 0.771 . . . . 0.0 113.039 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -67.21 -39.48 86.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -144.53 -57.19 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.574 0.749 . . . . 0.0 111.923 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.27 -65.82 0.57 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.339 1.447 . . . . 0.0 111.502 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 48.87 129.84 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 129.622 3.169 . . . . 0.0 116.554 -172.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.82 -40.51 5.14 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.964 1.776 . . . . 0.0 113.876 -168.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG2' ' CE3' ' B' ' 43' ' ' TRP . 2.6 p -75.17 -25.33 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.714 0.688 . . . . 0.0 112.067 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.54 -42.84 77.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.019 1.327 . . . . 0.0 111.922 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.67 79.01 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.444 -0.785 . . . . 0.0 112.261 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -65.32 -39.38 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.0 0.92 . . . . 0.0 112.927 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mt -60.96 -47.26 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.032 0.933 . . . . 0.0 111.615 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -32.73 74.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.312 0.96 . . . . 0.0 112.192 178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.4 -39.02 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.377 1.471 . . . . 0.0 112.871 171.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.43 ' HB2' ' NE2' ' B' ' 40' ' ' HIS . 86.2 m-20 -72.1 -41.12 67.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.072 -1.018 . . . . 0.0 112.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' OE2' ' OE2' ' B' ' 11' ' ' GLU . 33.3 mm-40 -63.93 -6.43 6.07 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 171.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -78.94 -54.33 6.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.24 1.382 . . . . 0.0 112.36 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -53.58 -39.48 64.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.126 0.971 . . . . 0.0 111.36 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.705 ' CE1' HG23 ' B' ' 33' ' ' ILE . 7.9 m170 -57.08 -6.3 0.35 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.941 2.897 . . . . 0.0 117.0 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -110.31 -37.82 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.405 1.457 . . . . 0.0 109.972 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.93 -52.94 62.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.291 -0.881 . . . . 0.0 111.161 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD2' HG21 ' B' ' 29' ' ' VAL . 40.6 m0 -59.99 -33.28 71.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.22 0.608 . . . . 0.0 112.18 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.35 -57.17 12.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.412 1.485 . . . . 0.0 112.384 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -31.08 34.26 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.217 1.007 . . . . 0.0 112.299 -178.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.6 m -60.59 -34.99 75.02 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.848 -1.157 . . . . 0.0 111.854 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.13 -8.56 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 CA--C 1.547 0.831 0 O-C-N 120.586 -1.321 . . . . 0.0 113.887 166.798 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.5 p90 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pp -48.77 -27.33 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.559 2.344 . . . . 0.0 115.396 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -71.47 -38.06 71.28 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.268 1.827 . . . . 0.0 113.385 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.68 -45.79 85.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 119.15 0.886 . . . . 0.0 111.355 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.916 HD22 ' CE1' ' A' ' 18' ' ' TYR . 1.3 mt -57.61 -42.56 83.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.754 0.706 . . . . 0.0 111.999 176.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.4 -51.88 66.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.428 0.691 . . . . 0.0 112.019 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.75 15.97 0.09 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.711 1.604 . . . . 0.0 115.127 170.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 71.0 mt -125.18 -39.24 2.24 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.529 1.532 . . . . 0.0 111.608 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.474 ' OE2' ' OE2' ' A' ' 37' ' ' GLU . 5.5 mm-40 -77.37 -51.62 10.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.439 1.096 . . . . 0.0 111.065 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -36.84 84.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.276 1.03 . . . . 0.0 112.953 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.96 -44.44 96.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.392 0.677 . . . . 0.0 111.991 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.4 99.02 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.824 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.88 -40.63 66.75 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.101 1.318 . . . . 0.0 113.87 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -54.18 -50.2 67.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.529 0.731 . . . . 0.0 112.316 172.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt -72.98 -38.21 66.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.619 1.567 . . . . 0.0 111.911 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.94 -44.25 82.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.272 1.429 . . . . 0.0 110.758 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -74.69 -36.17 62.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.986 0.812 . . . . 0.0 111.532 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.59 -46.74 81.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.642 0.777 . . . . 0.0 111.305 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.66 83.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.119 1.368 . . . . 0.0 111.975 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -57.95 -45.65 86.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.171 0.896 . . . . 0.0 112.473 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.31 -20.81 65.82 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -44.22 9.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.472 1.109 . . . . 0.0 112.82 171.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.5 t -84.37 -39.65 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.119 1.367 . . . . 0.0 112.695 -169.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.66 9.25 82.43 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.103 1.335 . . . . 0.0 116.367 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 138.38 83.24 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.546 1.673 . . . . 0.0 112.696 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.28 -35.15 11.58 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.953 2.436 . . . . 0.0 113.209 -173.026 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 43' ' ' TRP . 9.7 p -67.09 -32.96 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.507 -0.746 . . . . 0.0 111.812 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -41.63 88.34 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.499 -0.751 . . . . 0.0 111.02 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.02 95.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 113.045 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -59.84 -38.95 83.52 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.821 0.848 . . . . 0.0 112.655 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.705 HG23 ' CE1' ' A' ' 40' ' ' HIS . 54.2 mt -61.74 -29.92 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.46 -0.781 . . . . 0.0 113.0 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 31.0 mt -55.79 -41.54 74.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 120.382 1.447 . . . . 0.0 111.389 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -43.52 71.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.594 1.558 . . . . 0.0 113.119 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -44.98 96.51 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.622 -0.674 . . . . 0.0 111.482 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 40' ' ' HIS . 43.8 mm-40 -73.38 -19.8 60.91 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.971 -1.08 . . . . 0.0 113.174 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -45.78 73.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.697 1.135 . . . . 0.0 112.295 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -70.96 -37.72 72.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.367 -0.833 . . . . 0.0 111.354 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.43 ' NE2' ' HB2' ' A' ' 36' ' ' ASP . 26.4 m170 -51.19 -44.64 61.59 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.436 ' HA ' ' HB3' ' B' ' 44' ' ' LEU . 20.0 tt -83.58 -33.27 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.832 1.653 . . . . 0.0 111.189 -170.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.13 -47.85 82.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.096 0.862 . . . . 0.0 109.831 165.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.435 ' CE3' ' CG2' ' A' ' 29' ' ' VAL . 50.4 m0 -72.05 -34.99 69.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.086 0.954 . . . . 0.0 113.383 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' B' ' 41' ' ' ILE . 32.7 tp -66.28 -38.99 89.08 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.513 0.725 . . . . 0.0 111.317 172.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -68.3 -44.99 74.25 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.235 -0.916 . . . . 0.0 111.677 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -58.11 -23.71 55.93 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.33 1.052 . . . . 0.0 113.405 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -5.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -179.373 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.428 ' OH ' ' HD2' ' B' ' 24' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -34.29 63.6 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.561 1.944 . . . . 0.0 114.803 -170.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -59.21 -43.93 92.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.796 0.839 . . . . 0.0 112.761 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.58 -33.07 75.05 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.944 0.793 . . . . 0.0 112.182 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.93 -45.96 69.47 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 118.507 0.594 . . . . 0.0 110.71 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -50.89 57.36 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.285 1.434 . . . . 0.0 111.652 170.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.88 2.89 0.92 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.9 mt -122.58 -37.32 2.79 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.343 1.457 . . . . 0.0 113.231 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -75.58 -30.56 59.68 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.788 -1.195 . . . . 0.0 111.994 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.15 6.77 7.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.348 1.459 . . . . 0.0 113.595 168.067 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.31 -44.34 1.58 Allowed 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.833 1.253 . . . . 0.0 111.688 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 59.68 0.06 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.718 0.807 . . . . 0.0 110.059 151.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.0 tpp -158.31 -51.78 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.067 1.747 . . . . 0.0 113.589 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.13 -42.1 98.9 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.297 0.953 . . . . 0.0 112.317 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -31.73 64.94 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.629 0.772 . . . . 0.0 110.968 178.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 1.073 ' CE1' HD22 ' B' ' 7' ' ' LEU . 2.6 m-85 -60.15 -54.89 40.46 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.78 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -60.45 -37.18 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.97 1.259 . . . . 0.0 113.537 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.35 -51.49 69.3 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.607 1.094 . . . . 0.0 111.825 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.7 89.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.986 0.915 . . . . 0.0 112.427 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -64.37 -37.84 88.92 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.494 1.117 . . . . 0.0 113.161 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.51 -28.55 60.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.749 1.219 . . . . 0.0 112.81 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -89.84 -68.11 0.8 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.054 0.941 . . . . 0.0 110.985 169.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.53 -69.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.162 1.785 . . . . 0.0 110.764 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.64 -4.11 3.21 Favored Glycine 0 CA--C 1.544 1.902 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.565 ' CB ' HG12 ' B' ' 47' ' ' ILE . 12.4 t70 70.47 136.04 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 128.182 2.593 . . . . 0.0 111.746 -157.495 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.09 -18.37 50.67 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.831 2.354 . . . . 0.0 115.858 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.91 ' CG1' HD11 ' B' ' 47' ' ' ILE . 3.8 p -65.86 -25.21 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.652 1.569 . . . . 0.0 113.144 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 30' ' ' LEU . 1.8 tt -59.13 -41.51 88.41 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.933 -1.104 . . . . 0.0 111.594 174.341 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.12 0.14 1.02 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 172.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -116.96 -31.17 5.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.845 1.658 . . . . 0.0 110.716 172.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.85 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 121.866 -0.521 . . . . 0.0 111.237 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.84 -23.77 66.75 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.92 72.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.298 1.439 . . . . 0.0 112.826 169.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.57 ' OD2' ' NE2' ' B' ' 40' ' ' HIS . 90.6 m-20 -59.12 -46.58 87.96 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.375 -0.828 . . . . 0.0 110.932 171.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 24.4 mm-40 -67.51 -12.25 59.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.69 -51.73 18.16 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.79 -1.194 . . . . 0.0 111.485 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.14 -34.55 73.68 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 121.583 -0.698 . . . . 0.0 111.317 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CE1' HG23 ' B' ' 33' ' ' ILE . 27.2 m170 -62.32 -5.12 2.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.252 2.221 . . . . 0.0 116.282 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -31.3 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.441 1.496 . . . . 0.0 110.872 176.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.93 -49.98 58.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.683 0.793 . . . . 0.0 111.146 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CG ' HG21 ' B' ' 29' ' ' VAL . 30.0 m0 -60.79 -34.55 74.67 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 172.135 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -58.25 9.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.505 1.122 . . . . 0.0 111.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -68.19 -38.5 82.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.986 0.914 . . . . 0.0 112.356 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.3 m -57.12 -23.5 47.59 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.79 1.236 . . . . 0.0 113.86 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.34 -9.8 9.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 127.158 2.183 . . . . 0.0 110.274 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.8 t30 . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 126.669 1.988 . . . . 0.0 112.846 173.313 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 55.8 p90 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.29 -14.58 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -68.66 -38.77 80.67 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.233 1.379 . . . . 0.0 111.104 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.01 -43.69 98.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.303 168.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 1.073 HD22 ' CE1' ' A' ' 18' ' ' TYR . 87.4 mt -56.65 -52.02 66.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.648 1.113 . . . . 0.0 112.058 174.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.05 47.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.347 1.059 . . . . 0.0 112.727 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -74.92 -2.37 26.71 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.4 mt -103.54 -38.08 7.29 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.728 1.611 . . . . 0.0 111.54 167.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.492 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 5.3 mm-40 -77.49 -36.0 53.08 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.561 1.073 . . . . 0.0 112.059 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.556 1.071 . . . . 0.0 112.586 169.081 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -54.79 24.84 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.019 0.528 . . . . 0.0 110.602 169.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.86 46.07 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.181 2.192 . . . . 0.0 113.598 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -45.67 0.21 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.903 1.681 . . . . 0.0 111.472 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.85 -51.96 65.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.616 0.766 . . . . 0.0 112.052 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.04 69.12 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.37 -43.56 97.28 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.562 1.074 . . . . 0.0 111.988 -173.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.75 -44.64 86.26 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.5 -48.11 65.29 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.589 1.086 . . . . 0.0 112.547 -172.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.59 91.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.622 1.169 . . . . 0.0 111.272 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -58.64 -43.96 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.261 0.625 . . . . 0.0 112.494 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.21 -25.57 47.7 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.82 1.248 . . . . 0.0 114.054 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 0.428 ' HD2' ' OH ' ' A' ' 3' ' ' TYR . 58.1 mtt180 -104.76 -42.71 5.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.571 1.149 . . . . 0.0 113.723 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.97 -35.34 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.196 1.398 . . . . 0.0 112.054 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 1.68 56.9 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 133.85 91.82 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 119.718 1.759 . . . . 0.0 112.005 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.18 -34.13 10.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.696 2.264 . . . . 0.0 113.489 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.407 HG21 ' CG ' ' A' ' 43' ' ' TRP . 6.2 p -68.84 -29.48 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.27 0.941 . . . . 0.0 112.165 175.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -43.08 95.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.193 0.997 . . . . 0.0 111.213 172.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.09 99.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.028 0.531 . . . . 0.0 112.324 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.82 -34.31 72.89 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.342 1.057 . . . . 0.0 113.013 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.551 HG23 ' CE1' ' A' ' 40' ' ' HIS . 66.0 mt -66.02 -41.66 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.842 -0.599 . . . . 0.0 111.714 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -37.98 84.77 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.397 0.999 . . . . 0.0 111.899 174.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.84 -38.07 89.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.745 1.218 . . . . 0.0 112.276 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -74.59 -33.53 62.66 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.473 ' OE2' ' ND1' ' A' ' 40' ' ' HIS . 59.4 mm-40 -72.06 -13.77 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.232 -1.543 . . . . 0.0 113.315 171.036 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.23 -53.47 29.89 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.325 0.966 . . . . 0.0 112.392 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -24.69 64.0 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.57 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 14.2 m170 -59.03 -14.77 10.49 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.477 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 2.9 tt -115.31 -24.8 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.16 1.384 . . . . 0.0 112.645 -167.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.85 -48.99 76.65 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.439 -0.788 . . . . 0.0 110.042 158.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -60.41 -36.52 78.33 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.484 0.714 . . . . 0.0 112.593 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.4 tt -57.98 -48.26 80.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.857 1.263 . . . . 0.0 112.443 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -65.58 -43.25 90.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.775 1.23 . . . . 0.0 112.214 175.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 98.1 m -55.78 -40.37 72.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.163 0.985 . . . . 0.0 112.403 173.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.91 HD11 ' CG1' ' A' ' 29' ' ' VAL . 36.5 mt -61.72 -13.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.511 1.925 . . . . 0.0 114.835 174.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 N--CA 1.471 0.623 0 C-N-CA 125.607 1.563 . . . . 0.0 114.014 179.383 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 1.121 ' OH ' ' HB3' ' B' ' 20' ' ' GLU . 5.4 t80 . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.78 -25.55 68.28 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 127.738 2.415 . . . . 0.0 114.981 -171.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -55.82 -43.23 76.77 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.693 0.797 . . . . 0.0 112.601 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.41 -35.63 76.24 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.206 0.912 . . . . 0.0 112.531 175.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.614 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 2.0 mp -71.13 -46.58 61.35 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.565 1.146 . . . . 0.0 112.265 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -48.21 66.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.484 0.713 . . . . 0.0 112.809 169.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -69.02 7.11 0.76 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 173.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.85 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -122.01 -45.82 2.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.885 2.074 . . . . 0.0 110.449 176.471 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' B' ' 37' ' ' GLU . 5.4 mm-40 -73.97 -48.22 31.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.113 0.965 . . . . 0.0 111.014 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.3 69.88 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.53 -0.731 . . . . 0.0 112.097 174.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.15 -47.27 86.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.837 0.855 . . . . 0.0 111.672 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.61 95.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.454 0.702 . . . . 0.0 112.32 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -40.42 75.41 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.48 1.036 . . . . 0.0 113.446 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -55.95 -46.75 78.45 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.082 0.856 . . . . 0.0 112.358 172.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 6' ' ' GLU . 65.5 mt -70.74 -41.51 71.73 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.037 0.935 . . . . 0.0 111.601 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.3 -39.41 92.9 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.641 0.776 . . . . 0.0 111.565 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -74.23 -33.86 63.49 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.354 0.979 . . . . 0.0 112.51 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.24 -46.88 81.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.449 0.568 . . . . 0.0 110.8 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' CB ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.92 -42.76 98.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.868 1.267 . . . . 0.0 112.664 172.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -56.05 -51.13 68.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.251 -0.905 . . . . 0.0 112.109 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -71.88 -1.31 13.83 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -114.91 -17.65 11.47 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.812 1.645 . . . . 0.0 114.45 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG21 ' OH ' ' B' ' 3' ' ' TYR . 24.5 t -131.6 -32.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.183 0.993 . . . . 0.0 112.96 -172.023 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.11 71.54 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 171.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.07 139.93 95.95 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 119.574 1.687 . . . . 0.0 112.309 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.29 -34.81 9.35 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.783 2.322 . . . . 0.0 113.399 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -71.39 -26.0 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.278 -0.889 . . . . 0.0 112.693 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -39.11 82.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.172 0.989 . . . . 0.0 111.556 172.226 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.38 70.07 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -81.26 -30.71 34.01 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.315 -0.866 . . . . 0.0 113.122 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' B' ' 40' ' ' HIS . 95.7 mt -55.63 -45.57 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.716 1.207 . . . . 0.0 111.346 164.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.97 -43.89 91.44 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.297 0.953 . . . . 0.0 112.024 175.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -42.69 99.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.923 1.289 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.75 -42.71 77.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.236 0.615 . . . . 0.0 111.966 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' OE2' ' OE1' ' B' ' 37' ' ' GLU . 50.7 mm-40 -67.19 -26.35 66.58 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.749 -1.219 . . . . 0.0 113.535 173.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.95 -46.18 90.23 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.018 1.735 . . . . 0.0 112.06 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -57.73 -41.44 81.83 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.879 -0.513 . . . . 0.0 111.202 173.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.662 ' CD2' HG12 ' B' ' 33' ' ' ILE . 34.6 m170 -65.08 -13.2 57.41 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.83 -38.88 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.96 1.704 . . . . 0.0 109.663 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.21 -48.65 79.7 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.47 -0.768 . . . . 0.0 111.028 171.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.595 ' CG ' HG21 ' B' ' 29' ' ' VAL . 28.4 m0 -63.99 -34.89 79.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.478 0.711 . . . . 0.0 112.423 172.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -59.55 4.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.739 0.816 . . . . 0.0 111.656 176.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.51 -41.73 97.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 111.777 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 m -59.02 -31.15 68.56 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.286 1.034 . . . . 0.0 112.923 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.82 -19.87 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.363 1.065 . . . . 0.0 113.172 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.245 1.418 . . . . 0.0 114.102 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.587 ' CE2' ' CB ' ' A' ' 21' ' ' ALA . 42.5 p90 . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 119.724 -0.179 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -29.97 -45.79 0.06 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 129.805 3.242 . . . . 0.0 113.958 164.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -73.25 -41.87 63.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.996 1.319 . . . . 0.0 112.911 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.0 mt-10 -61.6 -28.13 69.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.273 -0.87 . . . . 0.0 112.113 168.402 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.02 -55.44 14.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.667 1.121 . . . . 0.0 110.432 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -51.11 63.1 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.359 1.063 . . . . 0.0 113.681 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -73.38 -5.27 38.66 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 54.4 mt -100.26 -40.64 7.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.329 0.513 . . . . 0.0 111.721 165.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.08 -35.34 64.22 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.267 -0.896 . . . . 0.0 112.666 -171.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -31.62 57.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.187 -0.945 . . . . 0.0 112.483 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -40.47 97.65 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.568 -0.707 . . . . 0.0 111.844 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.85 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -52.38 -44.45 65.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.733 0.813 . . . . 0.0 112.118 172.176 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.83 -40.3 97.0 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -59.49 -44.96 92.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.343 0.657 . . . . 0.0 112.14 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.416 HD12 HD22 ' A' ' 10' ' ' LEU . 60.4 mt -68.51 -40.34 80.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.055 0.942 . . . . 0.0 111.859 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.614 ' CE1' ' CD2' ' A' ' 7' ' ' LEU . 9.5 m-85 -63.33 -42.19 98.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.414 0.686 . . . . 0.0 111.679 177.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -73.61 -26.84 60.98 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.358 0.981 . . . . 0.0 113.221 174.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLU . . . . . 1.121 ' HB3' ' OH ' ' A' ' 3' ' ' TYR . 21.1 tt0 -70.57 -53.48 15.86 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.075 0.852 . . . . 0.0 111.632 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.925 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . . . -56.16 -24.03 38.72 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.764 1.226 . . . . 0.0 113.623 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -37.12 71.74 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.606 1.163 . . . . 0.0 113.513 171.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -23.83 63.78 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -91.58 -42.55 10.15 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.316 1.046 . . . . 0.0 113.512 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 t -135.38 -54.78 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.846 0.748 . . . . 0.0 112.933 -171.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.65 51.32 53.18 Favored Glycine 0 CA--C 1.535 1.341 0 N-CA-C 114.657 0.623 . . . . 0.0 114.657 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.67 148.93 9.0 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.164 0.986 . . . . 0.0 112.193 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.09 -31.54 75.72 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.043 1.829 . . . . 0.0 112.909 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.595 HG21 ' CG ' ' A' ' 43' ' ' TRP . 7.1 p -71.88 -28.18 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 174.664 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.53 -41.82 90.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.784 1.234 . . . . 0.0 111.239 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.53 97.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.24 -36.11 83.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.996 0.918 . . . . 0.0 112.897 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.662 HG12 ' CD2' ' A' ' 40' ' ' HIS . 60.5 mt -68.46 -45.63 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.693 0.797 . . . . 0.0 111.771 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -29.16 70.53 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.348 0.976 . . . . 0.0 112.083 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -40.26 96.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.837 1.655 . . . . 0.0 112.739 170.153 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.13 -37.06 61.55 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.191 -0.943 . . . . 0.0 112.649 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.502 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 32.5 mm-40 -65.0 -13.82 58.81 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.315 -0.866 . . . . 0.0 113.158 169.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.18 -49.09 53.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.143 1.338 . . . . 0.0 111.861 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -42.07 61.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.582 0.753 . . . . 0.0 111.133 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.557 ' CD2' HG12 ' A' ' 33' ' ' ILE . 33.0 m170 -66.94 -1.87 4.57 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 116.215 1.932 . . . . 0.0 116.215 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -111.71 -40.09 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.323 1.449 . . . . 0.0 110.184 173.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -48.92 74.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.307 -0.87 . . . . 0.0 111.735 173.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -64.76 -29.34 70.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.474 0.71 . . . . 0.0 112.475 173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -59.82 4.8 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.314 1.446 . . . . 0.0 111.646 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.68 -33.96 76.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.5 1.12 . . . . 0.0 111.51 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.9 m -60.49 -22.13 63.19 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.516 1.126 . . . . 0.0 113.484 170.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.35 -6.98 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.818 1.647 . . . . 0.0 114.245 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 CA--C 1.547 0.86 0 C-N-CA 125.374 1.47 . . . . 0.0 114.532 176.926 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.412 ' CE1' ' HB1' ' B' ' 21' ' ' ALA 0.253 1.8 p90 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -56.2 -19.15 12.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.919 2.487 . . . . 0.0 115.321 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -58.4 -34.28 70.57 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.0 -1.062 . . . . 0.0 113.842 171.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.1 -38.32 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.005 1.275 . . . . 0.0 112.488 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.3 -55.86 29.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.246 1.419 . . . . 0.0 110.75 167.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -50.11 43.45 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.246 0.546 . . . . 0.0 112.294 176.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -66.89 -3.63 7.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -113.76 -35.73 5.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.915 1.286 . . . . 0.0 112.096 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.37 -40.31 70.68 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.89 1.276 . . . . 0.0 112.179 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -79.55 -18.77 51.05 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.207 -0.933 . . . . 0.0 113.453 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -72.81 -43.86 62.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.06 -1.025 . . . . 0.0 110.786 166.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 47.85 0.16 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.876 2.07 . . . . 0.0 112.924 165.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.2 tpp -153.35 -53.36 0.11 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.217 1.807 . . . . 0.0 111.265 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -59.83 -43.51 94.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.732 0.696 . . . . 0.0 111.648 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -70.41 -42.45 71.64 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.054 1.341 . . . . 0.0 111.672 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.442 ' CE2' HD23 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -64.39 -27.97 69.37 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.656 0.783 . . . . 0.0 112.618 178.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -95.37 -17.37 21.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 -56.44 6.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.189 0.904 . . . . 0.0 111.217 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 50.45 1.15 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.114 1.766 . . . . 0.0 113.524 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -105.64 -50.9 3.1 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.959 0.904 . . . . 0.0 111.399 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.81 -38.17 90.12 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -72.54 -33.84 67.13 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.36 -41.3 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 118.474 0.579 . . . . 0.0 112.485 -171.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.43 -12.63 9.64 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 171.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -66.96 136.72 94.43 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-N 119.802 1.801 . . . . 0.0 112.799 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.29 -29.41 7.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.998 2.465 . . . . 0.0 113.875 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.77 -27.82 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 120.999 -1.063 . . . . 0.0 112.746 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.38 -41.35 93.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.775 1.63 . . . . 0.0 112.009 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.77 73.29 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.61 -0.681 . . . . 0.0 112.692 170.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -65.0 -34.75 79.18 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.098 -1.001 . . . . 0.0 112.79 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.7 -49.92 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.327 1.051 . . . . 0.0 111.611 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.289 1.7 pp -64.85 -17.35 64.2 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.873 1.67 . . . . 0.0 113.594 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -79.21 -43.85 23.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.549 1.539 . . . . 0.0 113.919 165.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.52 -46.11 84.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.014 1.326 . . . . 0.0 112.777 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.89 -10.43 53.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.37 -48.07 52.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 112.278 170.428 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -59.43 -37.46 78.15 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -62.89 -11.46 18.51 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -107.17 -38.86 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 126.837 2.055 . . . . 0.0 109.596 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.13 -45.97 92.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.074 -1.016 . . . . 0.0 111.682 172.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -64.62 -32.59 74.31 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.885 0.874 . . . . 0.0 112.411 171.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -50.74 68.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.707 1.203 . . . . 0.0 112.064 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.24 -39.6 90.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.228 1.411 . . . . 0.0 111.871 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -60.37 -36.05 77.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.552 0.741 . . . . 0.0 112.264 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mt -75.29 -12.49 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.617 1.567 . . . . 0.0 113.777 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 CA--C 1.55 0.977 0 C-N-CA 124.826 1.25 . . . . 0.0 113.987 174.774 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 24.3 t80 . . . . . 0 CA--C 1.536 0.426 0 CA-C-O 118.685 -0.674 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -32.15 2.89 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 115.156 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -58.13 -42.67 86.32 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.615 -1.303 . . . . 0.0 114.043 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -64.67 -28.01 69.31 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.961 1.255 . . . . 0.0 112.417 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 18' ' ' TYR . 2.5 mp -74.26 -44.44 52.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.269 1.028 . . . . 0.0 111.397 174.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' TYR . . . . . 0.409 ' HA ' HD11 ' B' ' 44' ' ' LEU . 0.3 OUTLIER -53.92 -50.13 67.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.86 1.264 . . . . 0.0 112.256 171.532 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.83 8.05 1.7 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.301 1.44 . . . . 0.0 114.772 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -114.31 -42.68 3.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.235 1.014 . . . . 0.0 112.333 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.34 -43.61 73.31 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.31 0.959 . . . . 0.0 111.961 -174.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.5 -31.91 65.74 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.229 -0.919 . . . . 0.0 113.024 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.11 -43.55 98.71 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.898 0.879 . . . . 0.0 112.02 173.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.6 74.54 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.802 -0.561 . . . . 0.0 111.945 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.0 tpp -51.0 -41.69 59.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.763 1.225 . . . . 0.0 113.303 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -54.31 -40.77 68.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -79.75 -44.54 20.53 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 125.098 1.359 . . . . 0.0 111.178 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.4 -39.37 67.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.884 1.274 . . . . 0.0 112.21 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -79.77 -24.9 41.18 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -79.92 -51.19 9.4 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.738 0.78 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -76.43 -15.96 59.8 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -171.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -52.62 -49.67 64.63 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.142 1.337 . . . . 0.0 113.837 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -68.38 -12.29 60.91 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -102.16 -35.5 8.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.35 1.46 . . . . 0.0 112.752 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.15 -39.7 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.887 0.875 . . . . 0.0 111.315 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.27 -20.78 3.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.216 1.389 . . . . 0.0 115.934 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.07 126.45 89.06 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 119.25 1.525 . . . . 0.0 111.671 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.96 -21.36 27.99 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.876 2.384 . . . . 0.0 115.036 -172.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -24.36 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.387 1.449 . . . . 0.0 112.593 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.93 -39.18 74.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.481 1.512 . . . . 0.0 112.17 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.05 85.17 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.52 -0.738 . . . . 0.0 112.938 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.7 -35.47 81.14 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.996 0.918 . . . . 0.0 112.362 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.24 -47.56 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 111.49 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -32.31 72.23 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.361 0.982 . . . . 0.0 112.383 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.88 -42.0 99.61 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.034 1.334 . . . . 0.0 112.759 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -65.42 -47.72 75.26 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.547 0.739 . . . . 0.0 111.403 171.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.99 -26.41 64.07 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.37 -52.2 49.25 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.366 1.439 . . . . 0.0 111.689 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.31 -37.09 69.45 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.713 1.605 . . . . 0.0 112.883 174.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -57.54 -29.42 64.36 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 117.344 -1.312 . . . . 0.0 114.205 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 35.1 mm -75.74 -34.12 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.376 1.871 . . . . 0.0 110.949 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.64 -47.08 82.79 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 171.627 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -61.61 -31.19 71.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.733 0.813 . . . . 0.0 112.729 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 2.1 tt -62.3 -49.97 73.51 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.72 0.808 . . . . 0.0 112.522 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.47 -33.65 76.04 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.609 -0.682 . . . . 0.0 111.734 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.3 m -55.99 -24.76 40.68 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.0 -1.063 . . . . 0.0 113.365 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.46 -10.11 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 120.157 1.344 . . . . 0.0 113.223 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 CA--C 1.55 0.954 0 C-N-CA 126.332 1.853 . . . . 0.0 114.025 169.974 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 1.149 ' CZ ' ' CB ' ' B' ' 21' ' ' ALA . 38.6 t80 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' H ' ' A' ' 4' ' ' LEU . 1.2 mp -55.82 -31.36 62.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.535 1.534 . . . . 0.0 114.683 -169.015 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -54.29 -40.19 67.66 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.477 1.111 . . . . 0.0 113.263 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.9 -34.83 79.03 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.227 0.921 . . . . 0.0 111.798 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -71.38 -42.21 68.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.121 0.968 . . . . 0.0 112.086 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -51.02 34.27 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.739 0.816 . . . . 0.0 112.413 163.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.0 8.32 0.76 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 174.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.526 ' CD1' HD12 ' B' ' 17' ' ' LEU . 83.0 mt -118.8 -42.14 2.74 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.915 1.686 . . . . 0.0 111.284 169.068 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.9 -47.2 39.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.723 1.209 . . . . 0.0 111.866 -174.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.88 -33.74 74.27 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.396 -0.815 . . . . 0.0 112.085 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -60.61 -48.98 79.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.258 1.023 . . . . 0.0 111.706 172.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.75 96.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.54 0.736 . . . . 0.0 112.439 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 tpp -53.84 -44.41 70.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.952 0.901 . . . . 0.0 112.811 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -54.12 -40.24 67.17 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.527 1.131 . . . . 0.0 112.602 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.428 HD12 ' CD1' ' B' ' 10' ' ' LEU . 71.4 mt -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.052 1.341 . . . . 0.0 112.032 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' B' ' 7' ' ' LEU . 11.7 m-85 -66.66 -31.65 72.47 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.315 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -72.39 -33.72 67.4 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.873 1.215 . . . . 0.0 114.01 166.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.23 -53.7 15.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.511 1.124 . . . . 0.0 111.42 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.27 -9.65 58.47 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.869 1.267 . . . . 0.0 114.231 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -56.13 -51.08 69.23 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.627 1.103 . . . . 0.0 113.412 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -61.78 -36.53 81.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.931 0.892 . . . . 0.0 112.159 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -80.28 -28.62 38.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.454 1.102 . . . . 0.0 113.632 -176.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.707 HG22 ' OH ' ' B' ' 3' ' ' TYR . 78.1 t -93.42 -44.98 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.339 1.056 . . . . 0.0 111.792 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.05 -10.03 4.82 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.29 139.72 97.6 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 119.885 1.843 . . . . 0.0 112.205 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.96 -27.29 12.28 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.883 2.389 . . . . 0.0 113.443 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -68.12 -20.12 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.863 1.21 . . . . 0.0 113.324 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.06 -35.19 66.68 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.953 -1.092 . . . . 0.0 112.455 167.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.87 78.5 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.833 0.742 . . . . 0.0 112.593 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.72 -39.69 56.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.835 0.854 . . . . 0.0 112.204 174.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.0 -49.03 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.747 0.819 . . . . 0.0 110.309 173.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.06 -44.13 78.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.882 1.273 . . . . 0.0 112.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -42.13 92.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.333 1.453 . . . . 0.0 111.971 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.83 -46.45 81.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.053 0.541 . . . . 0.0 111.651 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -64.82 -20.64 66.5 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.73 -47.32 75.7 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.442 1.474 . . . . 0.0 112.232 171.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.67 -35.29 74.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.498 0.719 . . . . 0.0 111.379 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.05 -3.21 12.27 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mm -113.62 -37.79 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.718 1.607 . . . . 0.0 109.967 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.59 -48.66 78.77 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.328 -0.857 . . . . 0.0 111.479 171.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -75.36 -30.33 60.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.653 0.781 . . . . 0.0 112.737 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.5 -59.29 4.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.429 1.092 . . . . 0.0 111.163 168.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.13 -42.76 91.4 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.4 1.08 . . . . 0.0 111.996 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 m -59.48 -43.54 93.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.932 0.893 . . . . 0.0 112.307 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -22.1 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.632 1.173 . . . . 0.0 113.432 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 126.439 1.896 . . . . 0.0 113.736 175.117 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.707 ' OH ' HG22 ' A' ' 25' ' ' VAL . 45.4 p90 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.64 -36.94 85.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.546 1.539 . . . . 0.0 112.722 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -68.72 -42.1 78.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.001 0.921 . . . . 0.0 112.375 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -59.34 -40.58 86.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.971 0.805 . . . . 0.0 111.001 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' A' ' 18' ' ' TYR . 2.1 mp -55.5 -55.17 34.94 Favored 'General case' 0 N--CA 1.461 0.108 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 171.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -48.15 -52.34 21.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 168.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.04 5.81 0.85 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 17' ' ' LEU . 82.1 mt -118.06 -44.92 2.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.176 1.79 . . . . 0.0 111.657 169.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.13 -45.71 63.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.92 0.782 . . . . 0.0 111.285 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -35.33 79.76 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.438 -0.789 . . . . 0.0 112.85 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -58.65 -49.1 78.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.839 0.856 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.84 92.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -49.03 70.46 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -59.05 -33.0 70.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.539 1.136 . . . . 0.0 112.931 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.526 HD12 ' CD1' ' A' ' 10' ' ' LEU . 79.4 mt -83.66 -39.22 20.49 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.864 1.666 . . . . 0.0 112.273 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.58 ' CD1' HD22 ' A' ' 7' ' ' LEU . 3.9 m-85 -64.87 -41.65 95.48 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.337 0.398 . . . . 0.0 110.237 -175.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.87 -36.43 83.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.2 -50.24 74.79 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.139 0.975 . . . . 0.0 111.288 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 1.149 ' CB ' ' CZ ' ' A' ' 3' ' ' TYR . . . -69.68 -41.6 75.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.076 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t -54.66 -45.19 73.79 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.054 1.297 . . . . 0.0 112.681 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -64.27 -2.9 2.39 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.761 1.625 . . . . 0.0 115.266 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -125.65 -39.37 2.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.599 1.56 . . . . 0.0 113.247 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.7 t -83.63 -37.33 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.022 1.729 . . . . 0.0 111.741 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.78 1.47 54.49 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.085 1.594 . . . . 0.0 117.085 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.93 136.56 95.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 119.917 1.859 . . . . 0.0 112.268 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.53 -36.05 9.39 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.657 2.238 . . . . 0.0 113.59 -171.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.47 -23.42 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.548 1.067 . . . . 0.0 112.679 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -42.87 99.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 111.387 169.324 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.59 88.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.532 -0.73 . . . . 0.0 112.284 170.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -60.65 -36.51 78.86 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.934 -1.104 . . . . 0.0 112.995 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.083 0.553 . . . . 0.0 110.763 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -25.69 62.59 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.9 -35.06 77.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.229 1.412 . . . . 0.0 112.38 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -71.1 -43.75 67.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.974 0.51 . . . . 0.0 111.952 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -62.26 -23.53 66.74 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -57.76 -43.53 85.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.151 0.98 . . . . 0.0 112.356 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -42.31 99.05 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.085 0.554 . . . . 0.0 110.945 172.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -67.98 -9.52 46.17 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 tp -114.79 -33.16 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.081 1.753 . . . . 0.0 110.465 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.6 -51.83 66.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.041 0.936 . . . . 0.0 111.36 167.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -67.32 -31.25 71.41 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.464 0.706 . . . . 0.0 112.632 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.52 -52.9 60.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.383 1.073 . . . . 0.0 111.883 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.58 -43.6 84.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.652 1.181 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.9 m -61.14 -44.92 96.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.208 1.003 . . . . 0.0 111.98 172.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.17 -16.54 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.401 1.481 . . . . 0.0 113.585 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 t30 . . . . . 0 CA--C 1.549 0.907 0 C-N-CA 127.596 2.358 . . . . 0.0 113.192 178.781 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' B' ' 21' ' ' ALA . 51.0 p90 . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.75 -21.07 44.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.065 1.746 . . . . 0.0 114.884 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.7 ttt-85 -60.96 -40.15 92.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.023 0.829 . . . . 0.0 110.838 160.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -12.16 58.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.135 1.774 . . . . 0.0 114.725 170.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 4' ' ' LEU . 12.6 mt -95.42 -47.16 6.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.1 1.36 . . . . 0.0 111.539 171.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -47.89 62.32 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.477 1.511 . . . . 0.0 112.646 173.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -3.85 2.39 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 173.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -120.59 -42.53 2.53 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.245 1.818 . . . . 0.0 111.418 -177.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.59 -45.54 58.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.144 1.338 . . . . 0.0 111.393 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.49 62.34 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.443 -0.785 . . . . 0.0 112.575 174.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -45.6 80.0 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.325 -0.859 . . . . 0.0 111.38 168.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.1 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.045 0.938 . . . . 0.0 112.531 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 ttm -52.52 -45.1 66.14 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.88 1.218 . . . . 0.0 112.327 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -58.18 -29.42 65.62 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.704 1.602 . . . . 0.0 113.293 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.0 mt -93.36 -35.74 12.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.594 1.557 . . . . 0.0 111.432 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.523 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.4 m-85 -55.55 -48.94 73.93 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.423 0.556 . . . . 0.0 110.998 171.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -66.71 -34.28 77.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.67 -47.53 31.24 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.516 0.674 . . . . 0.0 111.746 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' B' ' 3' ' ' TYR . . . -58.61 -42.84 89.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.432 1.093 . . . . 0.0 111.734 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -53.09 -43.07 66.5 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.143 0.883 . . . . 0.0 113.292 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.45 63.85 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -106.01 -38.02 6.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.667 1.187 . . . . 0.0 113.637 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.31 -36.2 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.2 1.4 . . . . 0.0 111.564 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.23 7.59 72.46 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 116.427 1.331 . . . . 0.0 116.427 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -81.44 137.02 48.56 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 119.457 1.629 . . . . 0.0 112.453 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.81 -33.71 15.86 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.99 2.46 . . . . 0.0 113.17 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.23 -25.58 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.256 -0.903 . . . . 0.0 112.491 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.66 -43.08 94.76 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.537 172.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.61 89.36 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.416 -0.802 . . . . 0.0 112.334 172.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.75 -30.17 71.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.71 0.804 . . . . 0.0 113.104 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.1 mt -69.99 -40.52 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.391 0.541 . . . . 0.0 111.954 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -29.35 70.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 118.893 0.769 . . . . 0.0 112.255 173.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -40.26 78.14 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.632 -1.292 . . . . 0.0 113.571 171.391 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.51 -45.1 66.24 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.192 -0.942 . . . . 0.0 112.431 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -64.61 -12.3 44.08 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 0.0 112.63 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.85 -51.22 42.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.319 -1.488 . . . . 0.0 111.486 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.66 -35.48 76.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.033 0.533 . . . . 0.0 111.768 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.476 ' CE1' HG23 ' B' ' 33' ' ' ILE . 29.4 m170 -57.73 -22.52 47.04 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.174 -1.393 . . . . 0.0 114.288 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.45 -42.22 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.653 1.981 . . . . 0.0 111.146 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.69 -43.69 98.38 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.101 -1.0 . . . . 0.0 110.593 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -65.96 -32.25 73.64 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.437 0.695 . . . . 0.0 112.657 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -58.57 7.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.404 1.002 . . . . 0.0 111.617 172.083 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.31 -39.88 94.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.726 1.21 . . . . 0.0 111.385 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.18 -43.77 92.18 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.913 0.885 . . . . 0.0 112.431 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.15 -8.15 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 . . . . . 0 CA--C 1.552 1.033 0 C-N-CA 126.266 1.826 . . . . 0.0 113.169 172.654 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.577 0.227 . . . . 0.0 111.047 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.1 -25.63 32.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.151 1.38 . . . . 0.0 113.708 167.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -48.71 55.31 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.117 0.967 . . . . 0.0 111.707 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.85 -40.27 66.36 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.29 0.95 . . . . 0.0 111.448 170.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -66.29 -51.66 55.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.401 1.08 . . . . 0.0 112.697 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.87 -49.19 20.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.323 1.849 . . . . 0.0 112.663 167.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -74.44 4.24 6.27 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.57 -41.41 5.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 111.672 162.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.523 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 7.9 mm-40 -69.28 -46.34 67.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.72 -36.02 77.88 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.013 -1.055 . . . . 0.0 111.571 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -57.93 -47.41 82.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.58 1.152 . . . . 0.0 111.836 170.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.816 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -58.15 -50.95 71.73 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.293 1.037 . . . . 0.0 111.395 173.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.29 -39.37 72.57 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.816 0.846 . . . . 0.0 113.055 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -54.82 -39.61 68.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.289 1.036 . . . . 0.0 113.194 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -85.78 -43.75 13.07 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 126.694 1.997 . . . . 0.0 111.421 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.58 -48.22 66.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.458 1.103 . . . . 0.0 111.603 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -28.04 62.4 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -62.88 -49.78 73.5 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.254 0.934 . . . . 0.0 110.675 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . . . -60.25 -35.89 76.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.167 0.987 . . . . 0.0 112.834 172.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -42.51 96.44 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.41 -0.806 . . . . 0.0 112.97 173.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.61 -35.48 80.3 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.468 -0.77 . . . . 0.0 112.866 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -77.61 -27.08 51.09 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t -143.82 -56.17 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 124.831 1.252 . . . . 0.0 112.273 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.68 38.5 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.5 0.96 . . . . 0.0 115.5 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 150.62 15.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 118.067 0.933 . . . . 0.0 113.056 173.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.07 -41.03 10.43 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.437 2.091 . . . . 0.0 113.111 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.95 -28.26 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.288 -0.883 . . . . 0.0 112.206 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -49.96 75.82 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.759 0.823 . . . . 0.0 110.232 169.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.29 84.4 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -64.45 -25.17 67.89 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.476 HG23 ' CE1' ' A' ' 40' ' ' HIS . 30.3 mt -76.41 -46.03 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 118.304 0.502 . . . . 0.0 112.112 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.9 mt -59.52 -27.75 66.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.892 0.877 . . . . 0.0 112.454 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.84 -38.92 79.78 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.167 1.787 . . . . 0.0 112.569 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -79.75 -47.87 14.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 111.442 171.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.62 -23.61 65.38 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.068 1.747 . . . . 0.0 114.239 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.2 -38.62 66.04 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.304 1.042 . . . . 0.0 112.586 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -79.31 -31.12 43.13 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.579 1.951 . . . . 0.0 111.427 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -43.67 -34.93 1.61 Allowed 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 126.899 2.08 . . . . 0.0 114.663 170.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.432 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 45.8 mm -74.62 -38.58 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 128.353 2.661 . . . . 0.0 111.665 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.24 -45.41 91.7 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.443 -0.785 . . . . 0.0 109.744 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -65.96 -32.74 74.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.3 tt -59.0 -52.14 67.05 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.482 1.037 . . . . 0.0 112.084 176.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.24 -40.1 96.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.841 0.856 . . . . 0.0 111.61 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -58.98 -31.28 68.62 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.077 0.951 . . . . 0.0 112.851 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -9.71 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 . . . . . 0 CA--C 1.552 1.025 0 C-N-CA 125.688 1.595 . . . . 0.0 114.519 175.298 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.775 ' CD1' ' HB2' ' B' ' 21' ' ' ALA . 59.1 m-85 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -45.46 -29.7 1.19 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.217 2.207 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -67.47 -43.1 81.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.551 1.523 . . . . 0.0 113.325 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.04 -40.08 92.26 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.829 1.195 . . . . 0.0 111.565 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD22 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mt -68.74 -45.59 71.06 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.124 0.569 . . . . 0.0 111.91 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -55.16 -47.79 74.64 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.533 1.06 . . . . 0.0 112.226 171.44 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -70.63 9.8 0.59 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.861 1.664 . . . . 0.0 114.452 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.2 mt -125.05 -46.66 1.81 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.06 1.744 . . . . 0.0 112.041 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' OE2' ' OE2' ' B' ' 37' ' ' GLU . 3.0 mm-40 -71.39 -53.98 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.623 1.569 . . . . 0.0 110.878 -177.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.38 -38.33 83.56 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.18 -0.95 . . . . 0.0 112.748 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -34.91 78.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB2' ' CD2' ' B' ' 10' ' ' LEU . . . -75.19 -34.39 61.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.249 1.02 . . . . 0.0 113.203 172.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -30.06 61.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.192 0.905 . . . . 0.0 112.307 178.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -56.4 -51.47 68.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.573 1.149 . . . . 0.0 113.25 167.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.9 mt -70.43 -42.72 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.125 1.37 . . . . 0.0 111.76 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.29 -39.48 69.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.761 1.624 . . . . 0.0 111.86 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.02 -27.27 33.16 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.226 0.921 . . . . 0.0 112.801 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -71.59 -45.74 61.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.12 0.968 . . . . 0.0 111.809 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.08 73.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.921 0.888 . . . . 0.0 112.743 170.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.652 0.781 . . . . 0.0 112.222 173.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.21 -26.31 67.33 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -81.46 -38.48 26.32 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 171.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -138.29 -60.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.004 0.922 . . . . 0.0 112.74 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.03 53.0 28.92 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-N 118.683 0.674 . . . . 0.0 114.232 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.9 153.94 5.52 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.329 1.051 . . . . 0.0 113.161 172.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.16 -37.89 13.5 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.491 2.128 . . . . 0.0 112.981 -170.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -26.67 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.784 -0.573 . . . . 0.0 112.184 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.44 89.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.267 1.027 . . . . 0.0 110.481 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.85 76.63 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.55 -38.41 90.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.921 0.888 . . . . 0.0 112.457 172.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 ' CE1' ' B' ' 40' ' ' HIS . 68.4 mt -66.46 -39.84 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.399 1.08 . . . . 0.0 112.796 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -45.6 63.97 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.422 1.464 . . . . 0.0 110.522 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -41.2 81.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.453 1.501 . . . . 0.0 113.252 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.36 -44.86 95.48 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.627 -0.67 . . . . 0.0 111.782 171.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' OE2' ' ND1' ' B' ' 40' ' ' HIS . 24.0 mm-40 -71.79 -19.74 61.96 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.162 -0.962 . . . . 0.0 112.847 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.28 -50.76 64.51 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.838 -1.164 . . . . 0.0 112.217 170.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -38.43 82.01 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.853 -1.155 . . . . 0.0 111.675 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -65.21 -1.93 2.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 tp -108.95 -33.42 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.705 1.602 . . . . 0.0 111.187 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.27 -54.8 15.11 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.987 -0.446 . . . . 0.0 109.907 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CD2' HG21 ' B' ' 29' ' ' VAL . 28.9 m0 -58.13 -37.51 74.74 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.206 0.602 . . . . 0.0 112.463 176.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 8' ' ' TYR . 1.1 tt -47.29 -55.27 9.05 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.207 1.403 . . . . 0.0 112.966 -177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -89.01 -39.11 13.91 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 112.154 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.1 m -58.58 -19.04 34.87 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.608 1.163 . . . . 0.0 113.489 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' B' ' 27' ' ' ASP . 5.0 mt -54.19 -22.68 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.189 1.396 . . . . 0.0 113.857 168.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.553 1.094 0 C-N-CA 126.484 1.914 . . . . 0.0 113.618 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -37.16 2.53 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.86 2.064 . . . . 0.0 114.6 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -54.55 -45.11 73.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.406 1.912 . . . . 0.0 113.897 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -16.55 62.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.325 1.05 . . . . 0.0 113.49 177.088 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 10' ' ' LEU . 1.3 mp -96.44 -44.29 7.26 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.6 1.16 . . . . 0.0 111.745 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.93 -50.99 62.9 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.571 1.548 . . . . 0.0 111.994 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -74.03 5.63 4.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.581 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -106.19 -46.73 3.99 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 127.355 2.262 . . . . 0.0 108.558 169.373 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -77.79 -40.33 40.99 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.006 0.821 . . . . 0.0 110.086 -166.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -34.56 77.27 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.9 0.88 . . . . 0.0 112.253 170.378 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -51.36 54.71 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.955 1.302 . . . . 0.0 112.068 175.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.37 89.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.728 1.211 . . . . 0.0 111.968 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -54.53 -45.74 73.45 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.715 1.143 . . . . 0.0 112.465 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -53.23 -44.99 68.53 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.909 0.777 . . . . 0.0 112.308 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.7 mt -72.45 -44.49 62.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.33 1.052 . . . . 0.0 111.387 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.837 ' CE1' HD22 ' A' ' 7' ' ' LEU . 4.1 m-85 -54.05 -41.14 67.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.834 1.654 . . . . 0.0 112.052 175.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -80.85 -28.27 36.14 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -76.41 -51.34 12.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 122.371 1.081 . . . . 0.0 111.374 -177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.775 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -74.43 48.12 0.33 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.313 2.245 . . . . 0.0 113.927 175.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -109.67 -50.68 2.96 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.377 -0.827 . . . . 0.0 111.791 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.14 -35.03 79.83 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -76.34 -37.17 57.7 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.44 -43.8 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.528 0.604 . . . . 0.0 112.177 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.75 43.78 97.25 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 115.374 0.91 . . . . 0.0 115.374 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.429 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -115.11 137.95 23.23 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 118.501 1.15 . . . . 0.0 112.154 -178.609 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.98 -32.2 11.43 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.773 2.316 . . . . 0.0 112.504 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.667 HG21 ' CD2' ' A' ' 43' ' ' TRP . 8.9 p -64.41 -31.89 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 121.699 -0.626 . . . . 0.0 111.861 175.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -40.92 83.27 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.739 -1.226 . . . . 0.0 112.743 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.03 86.3 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.438 0.695 . . . . 0.0 112.676 172.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -61.59 -37.12 82.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.878 1.271 . . . . 0.0 112.379 174.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.454 HG21 ' CE1' ' B' ' 18' ' ' TYR . 44.3 mt -66.13 -35.99 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.262 1.425 . . . . 0.0 111.895 175.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -33.65 72.74 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.429 1.468 . . . . 0.0 112.947 172.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -43.84 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.985 1.314 . . . . 0.0 112.846 173.092 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.92 -47.17 75.65 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.381 -0.825 . . . . 0.0 112.161 176.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.53 ' OE2' ' OE2' ' A' ' 11' ' ' GLU . 31.4 mm-40 -67.69 -10.69 54.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.742 0.817 . . . . 0.0 112.946 176.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -73.33 -53.27 11.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.13 -0.981 . . . . 0.0 112.531 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -32.96 74.44 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.892 -1.13 . . . . 0.0 112.314 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.549 ' ND1' ' OE2' ' A' ' 37' ' ' GLU . 2.3 m170 -58.48 -1.31 0.13 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 130.343 3.457 . . . . 0.0 118.097 175.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -117.22 -26.08 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 120.451 1.478 . . . . 0.0 110.935 173.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.08 -55.5 8.09 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.79 0.836 . . . . 0.0 110.208 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -59.75 -34.06 72.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.873 0.869 . . . . 0.0 112.254 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tt -51.11 -51.04 57.36 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.004 1.722 . . . . 0.0 112.789 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -75.74 -32.23 59.91 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 50.5 m -55.18 -30.51 60.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.705 0.802 . . . . 0.0 112.731 172.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mm -57.44 -18.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 35.7 t30 . . . . . 0 CA--C 1.55 0.955 0 C-N-CA 125.911 1.684 . . . . 0.0 114.091 176.565 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' HE1' HG22 ' B' ' 25' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.026 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.55 -27.15 2.57 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 129.213 3.005 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.85 -44.82 82.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.681 0.673 . . . . 0.0 112.414 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -35.11 79.82 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.563 1.074 . . . . 0.0 112.151 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.65 -44.4 90.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.601 0.637 . . . . 0.0 112.033 172.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -52.62 -51.39 60.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.995 0.918 . . . . 0.0 111.867 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -67.6 1.2 2.54 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.51 -40.31 4.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.539 1.536 . . . . 0.0 111.753 168.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.55 -44.4 67.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.322 1.049 . . . . 0.0 112.117 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -31.19 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.162 -0.961 . . . . 0.0 112.3 173.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.13 -45.53 91.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.757 0.823 . . . . 0.0 111.561 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.71 94.44 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -40.54 72.79 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.054 -1.029 . . . . 0.0 113.671 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.47 -43.74 89.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.474 0.71 . . . . 0.0 112.547 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.21 -38.85 78.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.962 0.905 . . . . 0.0 111.527 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.557 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 20.0 m-85 -61.49 -38.26 86.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -76.29 -29.44 57.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.061 1.3 . . . . 0.0 113.057 174.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -65.53 -48.56 72.05 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.13 0.967 . . . . 0.0 111.125 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.76 -30.89 71.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.126 0.97 . . . . 0.0 113.1 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -64.88 -46.48 81.61 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.94 -1.1 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.39 -37.82 78.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.267 1.027 . . . . 0.0 112.179 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.472 HH11 ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -88.43 -29.18 20.39 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -175.741 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.48 -50.16 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.478 1.111 . . . . 0.0 112.254 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.47 35.08 91.23 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 115.257 0.863 . . . . 0.0 115.257 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.597 ' HB3' HD11 ' B' ' 47' ' ' ILE . 12.1 t70 -54.98 140.73 60.99 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.027 0.931 . . . . 0.0 111.559 174.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.34 -35.69 96.16 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.381 2.054 . . . . 0.0 115.086 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 1.036 ' CG2' ' CD2' ' B' ' 43' ' ' TRP . 2.5 p -71.9 -27.42 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 120.678 1.581 . . . . 0.0 112.069 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.33 -44.08 95.94 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.589 1.156 . . . . 0.0 111.331 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.12 89.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.467 0.707 . . . . 0.0 112.772 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.77 -35.45 80.65 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.442 -0.786 . . . . 0.0 112.833 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.722 HG12 ' CD2' ' B' ' 40' ' ' HIS . 37.2 mt -64.92 -53.74 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 117.911 0.323 . . . . 0.0 111.2 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.32 -20.99 66.25 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.8 -41.67 91.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.012 1.325 . . . . 0.0 112.733 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -71.25 -43.07 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.688 0.795 . . . . 0.0 111.352 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.63 -18.06 65.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.761 1.224 . . . . 0.0 113.87 -171.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.03 -46.77 32.75 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.064 -1.023 . . . . 0.0 113.515 168.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.1 -36.57 77.72 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.61 -1.306 . . . . 0.0 110.939 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.662 ' CE1' HG23 ' B' ' 33' ' ' ILE . 2.0 m-70 -54.69 -6.59 0.12 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.868 2.867 . . . . 0.0 117.236 167.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 tp -114.33 -35.45 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 120.587 1.54 . . . . 0.0 110.234 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -52.13 59.39 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.502 0.592 . . . . 0.0 110.999 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -61.02 -43.29 99.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.355 0.662 . . . . 0.0 111.594 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.3 -35.28 80.33 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.56 1.144 . . . . 0.0 112.84 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.38 -48.63 22.09 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.427 1.012 . . . . 0.0 111.871 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.8 m -54.13 -36.52 63.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.449 1.022 . . . . 0.0 112.138 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.252 13.4 mm -70.57 -3.16 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 . . . . . 0 CA--C 1.546 0.792 0 O-C-N 120.351 -1.468 . . . . 0.0 114.703 165.726 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.2 p90 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' B' ' 7' ' ' LEU . 3.4 pp -48.98 -26.77 2.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.33 2.252 . . . . 0.0 115.616 165.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.3 -47.34 50.68 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 121.649 2.022 . . . . 0.0 111.908 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -61.32 -40.6 94.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.036 0.835 . . . . 0.0 111.47 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 4' ' ' LEU . 73.8 mt -58.06 -53.73 54.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.419 0.688 . . . . 0.0 112.353 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.67 -50.23 60.79 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.992 0.814 . . . . 0.0 112.345 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -68.86 6.93 0.76 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 65.5 mt -115.57 -43.56 3.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.21 1.404 . . . . 0.0 111.835 164.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.557 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 6.1 mm-40 -67.83 -48.74 65.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.159 1.384 . . . . 0.0 111.922 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.99 -30.51 66.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 112.719 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -64.03 -41.67 97.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.577 0.751 . . . . 0.0 111.944 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.75 84.57 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.504 0.722 . . . . 0.0 112.004 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -54.87 -46.11 74.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.844 0.858 . . . . 0.0 113.295 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -54.24 -38.06 65.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.482 1.113 . . . . 0.0 112.914 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.15 -37.45 28.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.854 1.262 . . . . 0.0 111.424 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.39 -34.73 71.06 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.78 -26.84 44.51 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -75.03 -52.85 10.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.003 0.82 . . . . 0.0 112.526 -170.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.67 -1.61 25.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -57.49 -56.23 24.58 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.15 -32.04 72.6 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.406 0.683 . . . . 0.0 112.082 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -74.55 -34.93 63.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.882 1.273 . . . . 0.0 113.005 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.406 HG22 ' HE1' ' A' ' 3' ' ' TYR . 95.2 t -80.63 -52.27 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.785 0.834 . . . . 0.0 111.78 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.87 47.63 65.46 Favored Glycine 0 CA--C 1.541 1.665 0 N-CA-C 115.464 0.945 . . . . 0.0 115.464 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -130.05 150.18 75.26 Favored Pre-proline 0 N--CA 1.479 1.015 0 CA-C-N 118.711 1.256 . . . . 0.0 112.587 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.42 -34.52 3.43 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.825 2.35 . . . . 0.0 114.381 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -68.07 -24.94 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.9 1.227 . . . . 0.0 112.47 -178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.58 -45.26 83.95 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.808 1.243 . . . . 0.0 111.686 171.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.9 89.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.686 0.795 . . . . 0.0 112.61 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -64.12 -34.73 78.72 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.351 -0.843 . . . . 0.0 112.428 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.662 HG23 ' CE1' ' A' ' 40' ' ' HIS . 16.1 mt -67.72 -45.13 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.432 0.693 . . . . 0.0 112.778 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.84 -26.55 66.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.014 0.825 . . . . 0.0 112.916 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.9 -32.02 70.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.351 1.461 . . . . 0.0 113.323 172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -71.19 -41.86 69.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.37 1.068 . . . . 0.0 112.788 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.24 -23.32 66.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.219 -0.925 . . . . 0.0 112.536 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.9 -42.52 94.03 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.169 -0.957 . . . . 0.0 112.326 174.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.04 -46.67 77.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.71 0.404 . . . . 0.0 110.49 171.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.722 ' CD2' HG12 ' A' ' 33' ' ' ILE . 35.7 m170 -56.67 -44.19 81.15 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.525 -1.226 . . . . 0.0 113.63 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.449 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 1.2 tp -77.2 -32.08 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.733 2.413 . . . . 0.0 111.636 -173.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.73 -46.77 71.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.346 -0.846 . . . . 0.0 110.45 168.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 1.036 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 44.3 m0 -63.97 -29.64 70.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.678 0.791 . . . . 0.0 112.775 171.269 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.449 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 2.1 tt -57.88 -55.94 28.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.642 1.177 . . . . 0.0 112.443 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.58 -32.94 74.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.56 -0.713 . . . . 0.0 112.519 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -57.76 -28.97 64.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 170.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -67.54 -6.41 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 125.218 1.407 . . . . 0.0 114.476 173.5 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.658 ' CZ ' HG11 ' B' ' 25' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -26.82 68.9 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.868 1.267 . . . . 0.0 113.107 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -73.75 -42.94 60.41 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.631 -1.293 . . . . 0.0 111.748 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.32 -41.08 88.24 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.279 165.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.926 HD22 ' CE1' ' B' ' 18' ' ' TYR . 76.3 mt -56.68 -51.62 68.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.007 1.276 . . . . 0.0 111.686 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.6 -51.76 52.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.635 0.731 . . . . 0.0 112.33 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.99 2.58 3.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.801 1.64 . . . . 0.0 115.303 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.6 ' CD1' HD12 ' B' ' 17' ' ' LEU . 75.8 mt -113.4 -40.78 3.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.196 1.798 . . . . 0.0 111.395 169.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.31 -44.18 72.24 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.27 1.028 . . . . 0.0 111.229 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -69.69 -34.72 74.33 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.184 -0.948 . . . . 0.0 112.989 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -44.22 97.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.713 0.805 . . . . 0.0 111.554 173.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.38 83.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.369 0.668 . . . . 0.0 111.592 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ttm -53.32 -39.09 63.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.281 1.032 . . . . 0.0 113.48 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -62.94 -39.13 93.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD12 HD12 ' B' ' 10' ' ' LEU . 64.0 mt -71.17 -41.16 70.72 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.1 0.96 . . . . 0.0 110.796 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.41 -7.71 27.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.254 1.422 . . . . 0.0 114.412 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -105.84 -7.18 18.42 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 167.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -119.14 -49.31 2.4 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.067 0.849 . . . . 0.0 112.416 -169.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -34.39 71.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.235 1.014 . . . . 0.0 111.966 169.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -58.45 -39.86 81.01 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.119 2.168 . . . . 0.0 114.083 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -71.43 -30.77 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.635 -0.666 . . . . 0.0 112.522 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.861 ' HB3' ' HE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -78.79 -29.14 44.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.581 1.153 . . . . 0.0 113.721 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.85 -35.26 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.89 1.276 . . . . 0.0 112.59 -170.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.09 8.0 72.86 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 116.521 1.368 . . . . 0.0 116.521 173.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.657 ' CB ' HD11 ' B' ' 47' ' ' ILE . 0.3 OUTLIER -64.43 134.85 96.12 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 119.381 1.591 . . . . 0.0 112.29 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.29 -38.08 5.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.173 1.915 . . . . 0.0 113.131 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' B' ' 43' ' ' TRP . 7.8 p -68.13 -30.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.399 1.0 . . . . 0.0 112.258 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -68.08 -46.65 70.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.965 1.306 . . . . 0.0 110.931 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.66 86.61 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.17 -41.27 90.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.922 1.289 . . . . 0.0 113.788 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.712 HG23 ' CE1' ' B' ' 40' ' ' HIS . 9.0 mt -58.85 -37.09 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -171.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.59 -21.64 64.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -171.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.77 -35.51 80.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.786 1.634 . . . . 0.0 112.787 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -66.93 -45.04 79.11 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.676 -0.64 . . . . 0.0 110.777 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' OE2' ' ND1' ' B' ' 40' ' ' HIS . 31.0 mm-40 -62.79 -31.94 73.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.369 -0.832 . . . . 0.0 112.336 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.12 -45.18 95.75 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.371 1.068 . . . . 0.0 111.657 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HE2' ' N ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -61.9 -47.83 83.21 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.756 0.822 . . . . 0.0 111.582 171.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.643 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 43.4 m170 -55.45 -44.15 76.11 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.554 1.142 . . . . 0.0 113.545 -175.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 14.6 tt -85.1 -27.55 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 126.119 1.768 . . . . 0.0 111.974 -172.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.54 -46.85 86.51 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 110.46 164.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -63.99 -36.94 85.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.006 0.523 . . . . 0.0 112.253 170.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.7 tt -58.9 -50.56 73.57 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.984 0.811 . . . . 0.0 112.409 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -55.28 -45.7 76.16 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.988 0.915 . . . . 0.0 112.232 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.1 m -60.91 -42.92 99.03 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.705 0.802 . . . . 0.0 112.251 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.888 HD11 ' CG1' ' B' ' 29' ' ' VAL . 14.7 mt -61.61 -31.31 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.19 1.396 . . . . 0.0 114.366 174.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 126.071 1.748 . . . . 0.0 113.255 -178.521 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.861 ' HE2' ' HB3' ' A' ' 24' ' ' ARG . 1.8 m-30 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -20.43 61.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -173.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -68.58 -42.23 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.932 0.787 . . . . 0.0 110.188 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.55 -34.47 75.62 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.877 0.762 . . . . 0.0 112.569 172.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.79 -52.84 47.44 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.804 1.184 . . . . 0.0 111.902 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.79 -49.61 65.25 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.881 0.764 . . . . 0.0 112.846 176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -71.21 6.38 1.71 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.775 1.63 . . . . 0.0 114.99 177.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 17' ' ' LEU . 87.4 mt -116.0 -40.62 3.28 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.588 1.155 . . . . 0.0 112.271 163.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.08 -46.46 42.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.919 0.888 . . . . 0.0 112.636 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.47 -29.48 62.55 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.002 -1.061 . . . . 0.0 112.028 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -41.95 86.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.402 -0.811 . . . . 0.0 111.816 170.4 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.5 76.76 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.7 -38.84 64.65 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.834 -1.167 . . . . 0.0 113.754 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.96 -38.68 73.31 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.6 HD12 ' CD1' ' A' ' 10' ' ' LEU . 60.8 mt -78.29 -41.92 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 110.569 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' TYR . . . . . 0.926 ' CE1' HD22 ' A' ' 7' ' ' LEU . 21.4 m-85 -62.8 -30.32 71.38 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.501 1.121 . . . . 0.0 113.119 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.92 -27.77 28.33 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -88.26 -61.41 1.72 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.974 0.892 . . . . 0.0 111.705 -174.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 62.11 2.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.622 1.969 . . . . 0.0 111.297 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -133.63 -46.29 0.81 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.597 1.559 . . . . 0.0 111.175 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.9 -38.09 81.29 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -82.67 -36.31 26.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 174.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 0.658 HG11 ' CZ ' ' A' ' 3' ' ' TYR . 55.5 t -75.85 -45.09 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.929 0.892 . . . . 0.0 112.341 -173.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.43 -5.74 14.27 Favored Glycine 0 CA--C 1.541 1.699 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 168.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -66.25 138.98 96.18 Favored Pre-proline 0 CA--C 1.551 0.992 0 CA-C-N 120.111 1.956 . . . . 0.0 113.063 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.8 -29.92 9.95 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.196 2.597 . . . . 0.0 113.893 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.888 ' CG1' HD11 ' A' ' 47' ' ' ILE . 8.6 p -69.26 -23.31 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.129 -0.982 . . . . 0.0 112.964 178.192 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.41 -39.21 72.65 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.962 1.305 . . . . 0.0 111.743 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.83 92.64 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.797 -0.564 . . . . 0.0 112.465 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.56 -42.09 92.21 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.345 -0.847 . . . . 0.0 112.13 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.87 -57.06 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.418 1.087 . . . . 0.0 110.797 171.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.41 -28.29 68.51 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.65 -37.42 86.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.869 1.267 . . . . 0.0 112.474 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASP . . . . . 0.643 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 89.8 m-20 -69.96 -44.48 69.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.553 -0.717 . . . . 0.0 111.667 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.11 -20.71 66.16 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.49 -52.85 34.29 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.766 1.166 . . . . 0.0 111.914 168.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -56.23 -40.59 74.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.341 -0.85 . . . . 0.0 111.471 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.712 ' CE1' HG23 ' A' ' 33' ' ' ILE . 30.1 m170 -59.76 -20.78 58.76 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -98.82 -32.16 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.343 1.457 . . . . 0.0 110.676 -176.754 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.99 -45.87 80.06 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.62 -0.675 . . . . 0.0 110.574 168.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' TRP . . . . . 0.614 ' HE3' HD11 ' A' ' 33' ' ' ILE . 37.6 m0 -62.24 -31.82 72.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.628 0.771 . . . . 0.0 112.447 170.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.1 tt -61.19 -55.57 30.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.942 0.897 . . . . 0.0 112.475 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.15 -42.57 95.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.755 0.822 . . . . 0.0 111.121 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.9 m -58.63 -29.92 66.88 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.546 1.138 . . . . 0.0 113.081 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 27' ' ' ASP . 1.2 tp -64.25 -11.82 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 CA--C 1.548 0.893 0 C-N-CA 126.064 1.746 . . . . 0.0 113.934 -175.51 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 1.314 ' OH ' ' CB ' ' B' ' 24' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.61 -21.26 14.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -61.12 -37.84 84.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.344 1.429 . . . . 0.0 112.118 172.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.29 -27.15 68.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.55 1.54 . . . . 0.0 113.615 172.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.8 mt -81.12 -45.97 15.64 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.689 0.796 . . . . 0.0 111.047 174.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.71 -50.11 66.61 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.72 1.208 . . . . 0.0 112.191 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -76.68 11.25 1.75 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.996 HD13 ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -103.23 -47.07 4.43 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.445 1.898 . . . . 0.0 108.999 161.478 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.73 -40.28 49.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.623 0.647 . . . . 0.0 110.65 -165.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.15 -39.25 86.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 112.198 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.97 -45.04 83.14 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.194 0.998 . . . . 0.0 113.0 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.44 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.514 0.726 . . . . 0.0 110.971 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.9 tpp -55.41 -47.74 75.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.352 1.061 . . . . 0.0 113.14 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.92 -37.35 14.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.815 1.246 . . . . 0.0 113.634 173.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -91.19 -48.29 7.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 111.167 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 1.035 ' CE1' HD22 ' B' ' 7' ' ' LEU . 10.0 m-85 -56.69 -42.45 79.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.325 1.05 . . . . 0.0 111.222 177.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -35.91 81.34 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.716 -0.615 . . . . 0.0 111.537 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 1.174 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 4.7 tp10 -69.69 -47.85 61.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.194 0.452 . . . . 0.0 110.38 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 1.557 ' HB2' ' CE2' ' B' ' 3' ' ' TYR . . . -59.52 -36.91 77.03 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.667 0.787 . . . . 0.0 112.386 175.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -59.12 -47.8 83.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.752 -1.217 . . . . 0.0 111.58 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.05 -1.41 12.1 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -21.43 7.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.052 1.741 . . . . 0.0 113.92 177.665 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -132.14 -31.03 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.022 1.329 . . . . 0.0 112.868 -170.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.6 16.7 77.72 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.745 1.458 . . . . 0.0 116.745 170.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.19 131.44 93.55 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 119.408 1.604 . . . . 0.0 112.517 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.09 -31.78 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.591 2.194 . . . . 0.0 113.121 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.74 -30.13 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.318 -0.864 . . . . 0.0 112.087 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -44.52 80.99 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.794 171.253 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.58 80.77 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.271 -0.893 . . . . 0.0 112.89 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -62.37 -40.09 95.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.216 1.006 . . . . 0.0 112.524 172.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.93 -40.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.381 1.072 . . . . 0.0 111.97 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.99 -40.63 94.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.113 0.869 . . . . 0.0 113.331 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.07 -36.56 79.96 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.19 1.396 . . . . 0.0 112.257 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.69 -53.13 24.08 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.725 0.81 . . . . 0.0 112.361 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.75 -27.5 68.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.098 0.863 . . . . 0.0 112.733 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.26 -51.15 67.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.671 1.188 . . . . 0.0 112.124 174.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.76 -41.05 83.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.441 1.896 . . . . 0.0 113.578 173.17 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.1 -35.08 70.92 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.557 1.143 . . . . 0.0 114.08 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 7.2 tt -82.46 -21.62 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 127.045 2.138 . . . . 0.0 111.442 -173.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.98 -49.54 44.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.514 -0.741 . . . . 0.0 109.828 163.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -58.29 -33.22 69.22 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 3.8 tt -56.6 -55.77 29.79 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.603 1.161 . . . . 0.0 113.096 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.57 -40.13 96.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.886 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -56.74 -22.43 35.44 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.604 1.161 . . . . 0.0 113.596 173.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.608 HD13 HG13 ' B' ' 29' ' ' VAL . 1.1 tp -68.32 -4.17 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 173.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.551 0.996 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 173.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 1.557 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 12.6 t80 . . . . . 0 N--CA 1.469 0.525 0 CA-C-O 121.59 0.709 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' B' ' 7' ' ' LEU . 2.8 pp -60.97 -22.65 64.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.065 1.746 . . . . 0.0 114.305 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -64.55 -41.97 95.98 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.791 -1.193 . . . . 0.0 112.335 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.47 -35.58 80.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.004 0.82 . . . . 0.0 112.012 172.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 1.035 HD22 ' CE1' ' A' ' 18' ' ' TYR . 73.7 mt -61.64 -51.2 69.44 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.342 0.657 . . . . 0.0 111.749 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.51 -52.49 54.3 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.078 0.854 . . . . 0.0 112.957 172.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -68.08 4.43 1.23 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.1 mt -107.71 -54.43 2.49 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.102 1.361 . . . . 0.0 111.483 161.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.679 ' HG3' ' OH ' ' A' ' 18' ' ' TYR . 4.4 mm-40 -66.92 -34.45 77.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.534 1.133 . . . . 0.0 112.233 -170.16 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.35 -34.72 31.61 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.958 -1.089 . . . . 0.0 113.463 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -55.08 -45.25 75.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.714 0.806 . . . . 0.0 110.313 167.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ALA . . . . . 0.996 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -61.99 -48.49 80.12 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.234 1.014 . . . . 0.0 112.766 170.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 40.1 tpp -55.09 -41.03 71.08 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.886 1.221 . . . . 0.0 113.303 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.94 -34.11 76.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -81.61 -31.11 32.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 125.188 1.395 . . . . 0.0 112.216 176.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -65.95 -40.22 91.12 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 117.432 -1.27 . . . . 0.0 111.098 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.04 -22.62 64.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.905 1.684 . . . . 0.0 114.676 166.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.12 -63.82 1.33 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.441 1.096 . . . . 0.0 113.138 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -23.08 67.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -52.93 -42.72 65.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 112.737 170.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.19 -8.09 28.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.419 1.487 . . . . 0.0 114.451 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ARG . . . . . 1.314 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . 2.2 mmm180 -125.35 -18.14 5.42 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.835 1.654 . . . . 0.0 114.255 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' VAL . . . . . 1.097 HG23 ' CE2' ' A' ' 3' ' ' TYR . 67.2 t -110.22 -39.88 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.169 1.388 . . . . 0.0 112.071 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.14 2.46 18.78 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.628 1.811 . . . . 0.0 117.628 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASP . . . . . 0.451 ' HB3' HD11 ' A' ' 47' ' ' ILE . 5.2 m-20 -66.4 143.69 98.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 CA-C-N 119.886 1.843 . . . . 0.0 112.86 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.08 -34.03 10.88 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.578 2.185 . . . . 0.0 113.274 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' VAL . . . . . 0.608 HG13 HD13 ' A' ' 47' ' ' ILE . 9.1 p -71.69 -26.26 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.181 -0.949 . . . . 0.0 112.844 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.75 -46.8 74.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.687 1.195 . . . . 0.0 110.542 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.83 77.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.569 0.748 . . . . 0.0 112.945 171.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -68.68 -28.4 66.83 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.075 -1.016 . . . . 0.0 113.499 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 61.6 mt -67.3 -55.74 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.459 173.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.4 -14.37 18.54 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.138 1.79 . . . . 0.0 114.986 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -75.89 -40.7 53.93 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.197 1.399 . . . . 0.0 113.603 167.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -76.96 -46.21 24.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.353 1.461 . . . . 0.0 112.01 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.02 -6.11 15.71 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 128.857 2.863 . . . . 0.0 112.347 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.27 -54.08 29.19 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.488 1.515 . . . . 0.0 111.673 164.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.22 -29.96 70.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.841 0.856 . . . . 0.0 111.783 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.16 -2.36 0.43 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.841 2.456 . . . . 0.0 116.299 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tp -116.52 -30.54 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 120.268 1.395 . . . . 0.0 112.045 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -73.74 -45.54 51.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 174.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.95 -27.77 69.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.772 0.829 . . . . 0.0 112.334 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -56.05 20.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.05 1.34 . . . . 0.0 111.902 172.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.56 -34.7 69.46 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.402 1.081 . . . . 0.0 112.068 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.8 m -65.42 -30.46 71.27 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 173.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.98 -4.78 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 126.13 1.772 . . . . 0.0 115.306 174.722 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -23.97 2.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.431 2.292 . . . . 0.0 114.431 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -84.2 -36.24 22.93 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 -166.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.309 0.644 . . . . 0.0 111.532 160.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.74 -51.8 66.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.367 0.985 . . . . 0.0 111.542 177.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -55.43 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.46 1.504 . . . . 0.0 113.375 166.424 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.84 -1.42 5.48 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.22 -40.6 5.13 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.624 1.57 . . . . 0.0 111.796 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.29 -42.49 62.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.426 1.09 . . . . 0.0 112.087 -175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.92 -36.34 80.0 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.372 -0.83 . . . . 0.0 111.874 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -44.31 97.28 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.71 -0.619 . . . . 0.0 111.964 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.514 0.726 . . . . 0.0 112.189 171.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -57.4 -45.19 84.79 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.258 -0.901 . . . . 0.0 113.216 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -51.49 -43.48 62.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.697 0.799 . . . . 0.0 112.398 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.93 -40.25 47.83 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.579 1.151 . . . . 0.0 112.086 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.76 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.648 -0.692 . . . . 0.0 111.072 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -67.25 -31.07 71.17 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.813 1.188 . . . . 0.0 113.642 174.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 1.2 tp10 -70.11 -48.29 58.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.131 0.878 . . . . 0.0 111.284 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB2' ' CE2' ' B' ' 3' ' ' TYR . . . -68.04 -26.14 65.72 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 t -63.77 -44.94 91.92 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.079 -1.013 . . . . 0.0 112.271 167.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.59 -38.45 91.15 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.616 -0.678 . . . . 0.0 112.023 172.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -66.81 -40.18 87.97 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.456 1.102 . . . . 0.0 113.592 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.3 t -140.74 -55.82 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.514 1.125 . . . . 0.0 111.929 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.58 -67.04 0.52 Allowed Glycine 0 N--CA 1.468 0.824 0 C-N-CA 125.199 1.381 . . . . 0.0 111.8 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 47.44 131.37 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 129.598 3.159 . . . . 0.0 116.436 -168.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.43 -40.31 4.39 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.717 1.611 . . . . 0.0 114.681 -163.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 p -77.91 -25.2 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.676 -0.64 . . . . 0.0 112.143 174.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.68 -44.08 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.679 1.192 . . . . 0.0 111.219 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.63 65.46 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.81 -31.54 40.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.942 1.297 . . . . 0.0 113.139 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' B' ' 40' ' ' HIS . 49.0 mt -63.29 -37.1 78.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 121.391 -0.818 . . . . 0.0 111.693 174.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.82 -42.1 71.45 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.273 0.942 . . . . 0.0 112.548 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.82 -40.29 91.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.134 1.374 . . . . 0.0 112.309 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -66.95 -47.11 72.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.577 0.751 . . . . 0.0 112.68 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 40.5 mm-40 -67.11 -18.69 65.43 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.282 -0.886 . . . . 0.0 112.747 176.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.53 -49.9 73.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.553 1.524 . . . . 0.0 111.696 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -57.59 -38.21 74.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.592 0.757 . . . . 0.0 111.396 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' HG23 ' B' ' 33' ' ' ILE . 28.6 m170 -63.23 -21.0 65.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -90.9 -40.49 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.758 1.623 . . . . 0.0 110.047 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -59.45 -45.83 90.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.614 0.766 . . . . 0.0 111.015 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.472 ' HE3' HD11 ' B' ' 33' ' ' ILE . 43.4 m0 -62.69 -34.46 77.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.455 0.702 . . . . 0.0 112.415 170.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -49.93 71.93 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.235 1.379 . . . . 0.0 114.494 -176.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.77 -40.14 79.07 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.448 1.099 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.9 m -63.58 -1.98 1.47 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 127.032 2.133 . . . . 0.0 114.406 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mm -106.91 -4.94 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.604 1.561 . . . . 0.0 112.6 -175.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 124.569 1.147 . . . . 0.0 114.063 173.949 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' TYR . . . . . 0.677 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 55.6 t80 . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.78 0.324 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.457 ' H ' HD12 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -60.22 -21.66 62.07 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.385 1.874 . . . . 0.0 113.597 -175.266 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.18 -39.17 81.7 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 126.902 2.081 . . . . 0.0 113.315 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.64 -41.01 84.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.788 0.722 . . . . 0.0 111.348 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.09 -41.18 99.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.765 0.712 . . . . 0.0 112.415 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -56.01 -54.15 48.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.457 0.703 . . . . 0.0 111.103 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -72.72 15.25 0.2 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.315 1.846 . . . . 0.0 114.75 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -119.94 -40.99 2.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.379 1.871 . . . . 0.0 110.812 165.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.472 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 4.0 mm-40 -76.43 -43.82 38.54 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.383 1.073 . . . . 0.0 111.799 -178.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -71.22 -33.97 70.39 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.196 -0.94 . . . . 0.0 112.348 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.36 -46.56 89.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.452 0.701 . . . . 0.0 111.38 170.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.32 93.68 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.438 0.695 . . . . 0.0 112.203 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.86 -45.8 64.21 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.147 1.34 . . . . 0.0 112.757 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -56.24 -28.71 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.423 1.489 . . . . 0.0 113.55 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -100.27 -33.35 10.45 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 126.45 1.9 . . . . 0.0 112.1 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.02 -43.65 95.11 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.088 0.955 . . . . 0.0 110.247 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 172.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -67.86 -46.76 70.8 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.278 1.031 . . . . 0.0 111.778 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.98 84.73 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.716 1.206 . . . . 0.0 111.383 171.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -56.2 -43.32 78.39 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.168 -0.957 . . . . 0.0 112.347 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.35 2.91 0.75 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.415 1.886 . . . . 0.0 114.993 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.79 -39.61 1.1 Allowed 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.66 -1.275 . . . . 0.0 113.387 172.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.53 -36.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.0 1.32 . . . . 0.0 111.898 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.67 4.23 57.2 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 134.85 96.02 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.38 1.59 . . . . 0.0 112.04 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.61 -36.98 17.8 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.406 2.071 . . . . 0.0 112.454 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.95 -30.63 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.371 -0.831 . . . . 0.0 112.507 175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -39.31 86.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.279 1.031 . . . . 0.0 111.323 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.77 79.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.15 -33.68 76.34 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.168 -0.958 . . . . 0.0 113.358 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.636 HG23 ' CE1' ' A' ' 40' ' ' HIS . 57.4 mt -57.35 -32.52 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 118.378 0.535 . . . . 0.0 111.832 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.63 -34.75 71.52 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.821 -1.174 . . . . 0.0 114.064 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -44.17 85.69 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.419 1.008 . . . . 0.0 111.989 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.13 -51.8 59.09 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.732 -0.605 . . . . 0.0 111.159 176.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLU . . . . . 0.557 ' OE2' ' ND1' ' A' ' 40' ' ' HIS . 30.5 mm-40 -67.83 -17.9 64.66 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.77 -54.87 11.64 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.258 1.023 . . . . 0.0 111.569 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.6 -37.47 75.91 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.821 -0.549 . . . . 0.0 111.487 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 33' ' ' ILE . 23.5 m170 -62.32 -3.62 1.44 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -114.28 -34.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 120.874 1.67 . . . . 0.0 110.947 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.48 -51.21 61.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.496 0.589 . . . . 0.0 110.689 165.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -66.75 -34.79 78.62 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.37 -34.12 76.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.964 1.306 . . . . 0.0 113.183 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.22 -37.17 23.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.381 0.992 . . . . 0.0 112.385 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -57.63 -36.3 71.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.14 0.976 . . . . 0.0 112.363 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 tp -73.53 -4.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 125.754 1.622 . . . . 0.0 113.912 176.058 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 mtt . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -71.12 72.77 0.62 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.216 1.807 . . . . 0.0 112.708 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.4 -56.48 1.15 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.749 1.22 . . . . 0.0 111.416 -173.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -78.64 -21.22 48.71 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.336 1.854 . . . . 0.0 114.218 -171.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.47 -36.7 74.12 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.305 1.042 . . . . 0.0 112.975 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.43 -27.15 66.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 113.363 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -80.5 -44.54 18.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.85 0.86 . . . . 0.0 111.629 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.07 -50.91 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.743 1.617 . . . . 0.0 111.379 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -71.87 4.79 3.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.54 -41.48 4.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.631 1.173 . . . . 0.0 111.824 164.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.18 -46.76 76.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.327 0.967 . . . . 0.0 111.556 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.19 -29.51 64.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.113 -0.992 . . . . 0.0 112.838 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -42.06 86.54 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.255 -0.903 . . . . 0.0 111.963 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.93 96.98 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 122.971 0.508 . . . . 0.0 111.251 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ttm -54.19 -44.99 72.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.638 0.775 . . . . 0.0 112.613 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -49.67 -33.59 16.15 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.416 2.287 . . . . 0.0 113.577 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.43 -39.62 9.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 126.703 2.001 . . . . 0.0 111.51 -175.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.49 -33.2 71.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.67 0.788 . . . . 0.0 112.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -20.61 48.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.751 1.22 . . . . 0.0 113.992 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -87.55 -51.47 5.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 110.858 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -23.04 67.05 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.075 1.35 . . . . 0.0 114.599 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -55.41 -49.81 71.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.46 -32.51 74.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -43.51 55.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.752 1.221 . . . . 0.0 111.716 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.3 -38.73 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.643 0.777 . . . . 0.0 111.903 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.95 21.37 71.31 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.722 1.153 . . . . 0.0 115.864 172.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 135.23 20.73 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.074 1.437 . . . . 0.0 112.237 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.8 -30.01 18.1 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.94 2.427 . . . . 0.0 112.989 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.41 -30.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.409 -0.807 . . . . 0.0 112.197 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.46 -42.76 99.27 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.465 1.106 . . . . 0.0 111.473 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.23 77.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -64.63 -34.02 77.3 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.099 -1.001 . . . . 0.0 112.451 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.76 -47.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 O-C-N 121.651 -0.656 . . . . 0.0 112.542 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.01 -26.97 68.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.799 0.727 . . . . 0.0 112.894 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -44.46 84.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.144 171.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.19 -36.66 77.54 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.996 0.918 . . . . 0.0 112.463 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -67.55 -12.01 59.37 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.22 -41.46 81.24 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.201 1.819 . . . . 0.0 112.617 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.99 -37.57 74.51 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 121.663 -0.648 . . . . 0.0 111.177 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -71.68 1.05 7.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.115 1.766 . . . . 0.0 115.385 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.9 mm -115.31 -39.25 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 125.988 1.715 . . . . 0.0 109.038 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.47 -57.35 13.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.95 0.796 . . . . 0.0 111.744 170.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -64.11 -39.25 93.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.572 0.749 . . . . 0.0 111.722 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.7 tp -66.21 -29.88 70.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.386 1.474 . . . . 0.0 112.759 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -73.72 -51.85 15.18 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.1 0.863 . . . . 0.0 111.846 167.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.5 m -57.36 -43.09 83.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.632 0.773 . . . . 0.0 112.713 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.07 -9.23 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 C-N-CA 123.835 0.854 . . . . 0.0 113.064 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -87.13 -8.51 56.91 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.268 1.427 . . . . 0.0 114.229 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 C-N-CA 125.534 1.54 . . . . 0.0 113.363 177.313 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 ttp . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.57 -7.06 0.4 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -54.27 -68.77 0.15 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.674 1.19 . . . . 0.0 112.022 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.26 -27.63 69.15 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 124.952 1.301 . . . . 0.0 113.772 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -66.63 -42.45 86.74 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.043 1.292 . . . . 0.0 111.822 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.13 -35.55 81.14 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.964 1.256 . . . . 0.0 112.443 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.67 -51.91 55.73 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.022 0.828 . . . . 0.0 111.597 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.11 -50.07 65.2 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.46 1.104 . . . . 0.0 111.627 174.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.82 2.54 5.29 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.8 mt -114.15 -39.55 3.88 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.452 1.101 . . . . 0.0 112.738 164.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.81 -43.92 64.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.428 1.013 . . . . 0.0 111.738 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.74 -35.25 78.39 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.124 0.874 . . . . 0.0 112.417 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -44.77 95.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.765 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.71 80.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.237 0.615 . . . . 0.0 111.993 172.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.5 tpp -53.96 -46.15 71.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.051 1.34 . . . . 0.0 113.058 176.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -51.91 -42.97 63.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.624 0.647 . . . . 0.0 112.618 174.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.84 -42.0 41.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.79 -43.78 90.55 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.371 0.419 . . . . 0.0 112.103 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.97 -32.72 72.5 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.15 -54.04 12.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.83 0.824 . . . . 0.0 112.214 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.18 66.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -171.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.9 t -52.08 -48.88 64.48 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -171.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.96 -10.94 54.71 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -116.76 -28.48 6.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.059 1.344 . . . . 0.0 112.977 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -77.6 -40.58 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.657 1.183 . . . . 0.0 111.166 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.57 35.95 75.67 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 115.621 1.009 . . . . 0.0 115.621 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -121.61 142.47 35.85 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.627 1.213 . . . . 0.0 112.042 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.76 -27.54 14.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.835 2.357 . . . . 0.0 114.023 -173.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.275 2.8 p -69.52 -21.21 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.624 1.102 . . . . 0.0 112.932 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.8 -41.99 96.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.51 -1.369 . . . . 0.0 112.529 167.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.22 89.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.674 0.67 . . . . 0.0 111.9 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.39 -38.15 79.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.166 0.987 . . . . 0.0 112.91 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -63.35 -32.73 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.72 0.808 . . . . 0.0 112.72 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.55 -41.04 96.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.403 1.001 . . . . 0.0 111.81 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.36 -38.7 91.95 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.7 1.2 . . . . 0.0 112.552 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.32 -50.34 70.41 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.809 -0.557 . . . . 0.0 112.095 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.6 -24.54 64.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.86 -43.38 90.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.411 1.46 . . . . 0.0 112.406 171.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -62.19 -37.94 87.2 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.453 -0.779 . . . . 0.0 111.282 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -69.41 -6.89 33.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -103.21 -37.49 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.912 1.685 . . . . 0.0 109.282 171.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.16 -47.41 79.98 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.12 -0.988 . . . . 0.0 111.845 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -66.97 -27.22 67.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.908 1.283 . . . . 0.0 112.948 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -54.74 43.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.325 1.05 . . . . 0.0 112.088 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.65 -27.51 66.07 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.865 0.866 . . . . 0.0 112.562 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.9 m -63.27 -30.59 71.7 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.49 -0.756 . . . . 0.0 112.278 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -5.21 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -64.4 -15.77 61.12 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.628 1.571 . . . . 0.0 114.46 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.33 0 C-N-CA 126.247 1.879 . . . . 0.0 114.434 -179.27 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mtp . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 118.39 -0.814 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.86 -50.23 71.74 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.59 1.541 . . . . 0.0 113.746 -171.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 1.515 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 1.6 t80 -172.89 -62.32 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.469 1.908 . . . . 0.0 110.08 175.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.6 -14.86 59.12 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -160.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -66.42 -31.26 71.9 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.606 1.093 . . . . 0.0 112.687 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -63.46 -40.32 96.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.206 1.003 . . . . 0.0 112.532 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.803 HD23 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -65.95 -47.09 75.81 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.829 1.251 . . . . 0.0 111.641 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -51.9 50.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.369 1.068 . . . . 0.0 112.924 168.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 4.35 3.12 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.741 HD13 ' HA ' ' B' ' 14' ' ' ALA . 73.8 mt -109.03 -42.5 4.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.32 1.448 . . . . 0.0 111.51 166.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.735 ' HG3' ' OH ' ' B' ' 18' ' ' TYR . 6.9 mm-40 -67.79 -46.73 71.13 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.801 0.841 . . . . 0.0 112.262 -176.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -71.98 -31.69 66.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.351 -0.843 . . . . 0.0 112.349 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.75 -43.52 97.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.566 0.747 . . . . 0.0 111.658 170.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.83 86.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.305 0.642 . . . . 0.0 111.705 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 mtp -55.33 -42.95 74.48 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -53.97 -38.41 64.98 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' B' ' 10' ' ' LEU . 67.3 mt -85.21 -40.11 17.04 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.738 1.215 . . . . 0.0 111.274 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -61.68 -40.23 94.24 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.687 0.795 . . . . 0.0 111.698 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -32.27 66.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.224 0.92 . . . . 0.0 112.732 176.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.26 -52.28 59.47 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.831 0.741 . . . . 0.0 110.2 173.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.79 82.92 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.571 1.149 . . . . 0.0 112.445 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -60.25 -47.92 83.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.43 -0.794 . . . . 0.0 112.224 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -40.38 93.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.592 0.757 . . . . 0.0 112.444 175.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -73.35 -32.16 64.37 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.242 1.417 . . . . 0.0 114.144 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -112.98 -34.21 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.172 0.989 . . . . 0.0 112.902 -167.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.36 2.16 78.37 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.72 1.448 . . . . 0.0 116.72 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 140.82 97.98 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.575 1.688 . . . . 0.0 112.267 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.99 -36.84 9.47 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.622 2.214 . . . . 0.0 113.33 -173.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 -27.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 121.149 -0.97 . . . . 0.0 112.768 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.03 -37.29 86.89 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.328 -0.857 . . . . 0.0 112.039 170.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.18 65.83 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.37 -36.86 83.59 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.035 -1.041 . . . . 0.0 112.822 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.4 mt -57.81 -41.6 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.323 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.38 -40.38 96.27 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.46 1.027 . . . . 0.0 112.972 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.55 -40.7 97.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.215 1.006 . . . . 0.0 112.521 174.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.32 -52.07 25.43 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.088 0.955 . . . . 0.0 112.865 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -64.11 -26.43 68.54 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.469 -0.769 . . . . 0.0 112.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.42 -40.05 93.0 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.785 -1.197 . . . . 0.0 113.134 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -66.0 -39.87 90.65 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.589 1.086 . . . . 0.0 111.414 171.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -60.28 -36.83 78.74 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 35.8 mm -75.54 -40.06 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 127.292 2.237 . . . . 0.0 110.347 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.3 -44.56 97.02 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.461 -0.775 . . . . 0.0 110.345 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CG ' HG21 ' B' ' 29' ' ' VAL . 39.8 m0 -64.28 -35.54 81.18 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.902 0.881 . . . . 0.0 112.672 169.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.5 tt -57.05 -49.89 74.44 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.369 1.068 . . . . 0.0 111.794 176.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.41 -37.95 68.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.492 1.117 . . . . 0.0 112.622 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.9 m -58.41 -40.49 82.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.74 HD11 ' HB3' ' B' ' 27' ' ' ASP . 9.4 mm -59.51 -7.96 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.198 1.799 . . . . 0.0 114.717 171.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -121.46 -3.2 9.39 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.598 1.959 . . . . 0.0 114.023 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 CA-C-O 118.26 -1.3 . . . . 0.0 113.75 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.41 152.34 45.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.241 0.617 . . . . 0.0 112.022 171.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -152.13 -38.16 0.11 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.463 1.105 . . . . 0.0 112.534 173.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 mt -41.23 -50.7 3.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.939 2.896 . . . . 0.0 113.306 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.82 -39.43 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.119 -0.988 . . . . 0.0 113.39 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -71.39 -27.45 63.34 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.38 0.991 . . . . 0.0 112.972 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.7 -51.07 68.65 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 120.137 1.335 . . . . 0.0 110.108 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -48.56 70.44 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.33 1.052 . . . . 0.0 112.057 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -75.96 9.19 2.56 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.681 ' CD1' HD12 ' A' ' 17' ' ' LEU . 81.0 mt -114.98 -41.18 3.38 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.165 0.986 . . . . 0.0 112.192 162.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.72 -49.63 24.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.44 1.018 . . . . 0.0 111.424 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -68.54 -25.87 65.14 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.264 -0.897 . . . . 0.0 113.133 173.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.85 -42.45 63.73 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.402 -0.811 . . . . 0.0 112.516 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.741 ' HA ' HD13 ' A' ' 10' ' ' LEU . . . -65.34 -39.69 92.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 112.063 171.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 30.7 tpp -51.33 -44.77 62.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.011 1.324 . . . . 0.0 113.77 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -54.35 -42.59 70.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.575 0.75 . . . . 0.0 112.224 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.64 HD12 ' CD1' ' A' ' 10' ' ' LEU . 61.4 mt -79.36 -40.7 29.54 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.217 1.407 . . . . 0.0 111.487 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.803 ' CD1' HD23 ' A' ' 7' ' ' LEU . 7.8 m-85 -56.57 -47.68 79.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.435 0.694 . . . . 0.0 110.797 173.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -73.78 -31.04 63.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.76 -50.63 62.1 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.777 0.799 . . . . 0.0 110.962 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 1.515 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -65.77 -37.7 87.05 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.191 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -55.29 -40.42 71.02 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.055 1.298 . . . . 0.0 112.924 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.13 -12.03 35.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.449 1.5 . . . . 0.0 114.32 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -125.73 -34.1 2.66 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.114 1.365 . . . . 0.0 113.825 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 3' ' ' TYR . 99.1 t -79.1 -37.53 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.355 1.462 . . . . 0.0 111.015 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.56 -3.36 55.08 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 116.629 1.412 . . . . 0.0 116.629 171.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.74 ' HB3' HD11 ' A' ' 47' ' ' ILE . 1.7 m-20 -65.76 133.56 95.07 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 119.51 1.655 . . . . 0.0 112.412 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.78 -28.76 24.75 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.837 2.358 . . . . 0.0 113.332 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.579 HG12 HD11 ' A' ' 47' ' ' ILE . 9.4 p -64.69 -32.58 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.291 -0.881 . . . . 0.0 112.302 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.732 HD11 ' OH ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -66.06 -42.33 89.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.11 0.964 . . . . 0.0 111.036 174.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.28 87.07 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.814 170.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.09 -36.26 81.15 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.005 -1.06 . . . . 0.0 112.856 175.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.19 -39.98 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.75 -0.594 . . . . 0.0 112.026 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.251 0.7 OUTLIER -67.02 -24.91 66.06 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.823 1.192 . . . . 0.0 112.649 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.53 -42.81 74.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.588 1.155 . . . . 0.0 113.128 166.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.59 -46.4 79.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.162 0.985 . . . . 0.0 113.12 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -68.25 -13.36 62.2 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.997 -1.064 . . . . 0.0 113.172 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.62 -46.21 73.17 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.867 -1.145 . . . . 0.0 111.598 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -43.32 71.86 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 122.002 -0.436 . . . . 0.0 110.258 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -66.02 -11.95 51.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.91 -30.66 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.386 1.474 . . . . 0.0 110.351 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.82 -50.08 58.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.991 0.916 . . . . 0.0 110.873 169.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -59.04 -31.75 69.13 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.612 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.61 -53.03 63.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 112.076 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -60.45 -41.41 94.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.82 0.848 . . . . 0.0 112.048 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 m -59.56 -41.53 90.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.925 0.89 . . . . 0.0 112.678 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.32 -4.9 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -8.61 56.78 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.944 1.698 . . . . 0.0 113.779 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.107 -1.385 . . . . 0.0 113.319 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.715 0.293 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -59.11 -23.12 61.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -166.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -56.68 -33.34 66.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.35 1.46 . . . . 0.0 114.324 -174.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.57 -17.11 30.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.63 1.572 . . . . 0.0 115.232 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -56.51 -38.89 72.42 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.606 -0.684 . . . . 0.0 112.594 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.55 -37.95 83.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 123.941 0.897 . . . . 0.0 110.914 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' B' ' 18' ' ' TYR . 18.9 mt -61.81 -47.61 84.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.59 0.632 . . . . 0.0 111.855 173.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.15 -50.36 64.72 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.173 0.989 . . . . 0.0 112.052 173.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -72.34 7.55 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.028 1.731 . . . . 0.0 114.409 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.6 mt -118.93 -41.01 2.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.703 1.601 . . . . 0.0 112.338 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.13 -47.63 49.7 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.639 1.109 . . . . 0.0 111.847 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.82 -36.08 83.18 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.55 -0.719 . . . . 0.0 111.971 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -62.11 -41.24 98.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.64 1.176 . . . . 0.0 112.59 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.09 77.64 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.701 -0.624 . . . . 0.0 112.077 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mtp -56.08 -38.57 70.86 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.56 -34.99 27.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.985 1.714 . . . . 0.0 113.465 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.8 mt -97.12 -40.49 8.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.454 1.502 . . . . 0.0 111.72 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -55.29 -47.52 75.41 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.056 0.942 . . . . 0.0 110.767 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -66.57 -30.99 71.42 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -73.97 -50.47 19.78 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.963 0.905 . . . . 0.0 111.35 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.96 70.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.89 1.276 . . . . 0.0 113.417 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -50.63 -47.7 58.35 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -82.87 -25.43 32.56 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.494 1.118 . . . . 0.0 113.826 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t -97.95 -42.14 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.175 0.99 . . . . 0.0 112.059 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 13.05 77.85 Favored Glycine 0 CA--C 1.539 1.542 0 N-CA-C 116.748 1.459 . . . . 0.0 116.748 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.81 139.8 33.09 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.506 1.653 . . . . 0.0 112.482 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.84 -29.57 18.54 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.017 2.478 . . . . 0.0 113.623 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.55 -32.1 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.397 -0.814 . . . . 0.0 112.094 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.27 -44.15 95.92 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.219 -0.926 . . . . 0.0 111.519 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.97 95.64 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.597 -0.689 . . . . 0.0 112.518 172.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.44 -33.21 72.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.688 1.195 . . . . 0.0 113.107 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.28 -32.92 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.305 0.642 . . . . 0.0 112.711 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.12 -37.81 81.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.576 1.08 . . . . 0.0 112.193 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.74 -40.12 95.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.235 1.014 . . . . 0.0 112.478 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -66.22 -56.22 12.39 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.391 -0.818 . . . . 0.0 111.454 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.96 -26.76 68.73 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.25 -53.57 56.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.259 0.936 . . . . 0.0 112.4 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -67.0 -34.29 77.43 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.141 -0.974 . . . . 0.0 112.611 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -54.05 -41.21 67.86 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.654 1.116 . . . . 0.0 113.32 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -86.17 -30.0 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 127.179 2.192 . . . . 0.0 110.974 -172.489 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.97 -47.07 81.86 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.244 -0.91 . . . . 0.0 110.4 165.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CD2' HG21 ' B' ' 29' ' ' VAL . 26.6 m0 -64.1 -33.8 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.646 0.779 . . . . 0.0 112.417 171.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 2.3 tt -58.21 -51.31 70.29 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.725 1.148 . . . . 0.0 112.722 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.92 -43.29 98.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.397 0.679 . . . . 0.0 111.811 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.3 m -57.73 -34.27 69.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.706 0.802 . . . . 0.0 112.365 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.95 -9.81 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.799 1.64 . . . . 0.0 114.579 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -104.16 -8.65 19.27 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.953 1.701 . . . . 0.0 113.865 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.303 0 C-N-CA 125.861 1.696 . . . . 0.0 113.116 178.559 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.335 0.112 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.02 122.73 13.34 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.668 1.187 . . . . 0.0 110.318 173.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -160.05 -39.58 0.05 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.239 1.815 . . . . 0.0 110.798 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.54 -27.36 67.59 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -64.38 -43.05 95.7 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.993 -1.067 . . . . 0.0 112.052 171.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.43 -35.43 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.936 0.789 . . . . 0.0 111.579 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.04 -51.56 69.1 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.469 1.031 . . . . 0.0 111.214 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.11 -51.7 63.37 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.714 0.688 . . . . 0.0 112.416 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 0.28 4.91 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -108.15 -39.19 5.56 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.585 1.154 . . . . 0.0 112.034 167.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.07 -37.89 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.52 1.055 . . . . 0.0 112.632 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -28.46 57.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.06 0.944 . . . . 0.0 112.997 172.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.63 -49.61 72.59 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.815 -0.553 . . . . 0.0 110.255 168.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.09 46.09 0.13 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.637 1.975 . . . . 0.0 113.21 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 33.2 tpp -149.65 -48.06 0.14 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 112.101 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -53.94 -44.71 70.9 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.876 0.762 . . . . 0.0 112.663 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 -35.85 18.04 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.305 1.042 . . . . 0.0 111.825 176.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.5 -46.42 86.74 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.109 0.964 . . . . 0.0 110.592 -175.121 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -68.73 -28.64 67.0 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 173.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -75.57 -56.16 4.97 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.209 1.004 . . . . 0.0 112.149 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -20.88 66.53 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -50.68 -46.47 58.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.808 1.243 . . . . 0.0 113.922 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.71 -35.31 80.64 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -76.08 -42.05 48.56 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.677 0.791 . . . . 0.0 112.76 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.0 -37.29 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 118.427 0.558 . . . . 0.0 111.904 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.69 -13.85 39.88 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.13 1.348 . . . . 0.0 116.259 167.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.92 127.18 92.47 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.345 1.573 . . . . 0.0 111.522 175.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.67 -31.84 20.15 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.602 2.201 . . . . 0.0 113.425 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 43' ' ' TRP . 8.4 p -60.44 -28.01 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.876 0.871 . . . . 0.0 113.052 176.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.22 -40.18 93.03 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.258 1.023 . . . . 0.0 111.539 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.71 -35.46 78.83 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.93 -30.54 71.14 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.998 0.919 . . . . 0.0 113.28 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.35 -30.76 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.745 -0.597 . . . . 0.0 112.062 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.54 -35.12 78.41 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.07 -1.019 . . . . 0.0 112.113 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.95 -45.94 86.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.964 1.306 . . . . 0.0 111.972 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.46 -52.76 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.619 0.768 . . . . 0.0 111.976 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.29 -28.21 68.52 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.313 -0.867 . . . . 0.0 112.573 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.66 -45.97 84.49 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.044 -1.035 . . . . 0.0 111.846 171.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -45.67 93.33 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 171.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -56.55 -37.49 70.59 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.499 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 15.8 tt -88.44 -26.17 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.261 1.824 . . . . 0.0 111.955 -173.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.86 -45.38 82.32 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.316 -0.865 . . . . 0.0 110.532 162.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -63.66 -32.82 74.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.499 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 3.0 tt -55.7 -55.61 30.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.231 1.012 . . . . 0.0 113.055 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.53 -29.08 70.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.271 1.028 . . . . 0.0 113.469 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -16.19 46.39 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.041 1.737 . . . . 0.0 114.664 177.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.7 mm -92.96 -5.43 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 126.867 2.067 . . . . 0.0 112.783 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -70.99 3.37 3.42 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.101 2.16 . . . . 0.0 114.789 -175.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.217 0 C-N-CA 126.352 1.93 . . . . 0.0 112.374 -179.677 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.535 0.207 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.9 t0 53.22 51.39 15.68 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.673 1.989 . . . . 0.0 114.56 173.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.97 ' CE2' HG21 ' B' ' 25' ' ' VAL . 2.6 t80 -145.64 -63.37 0.33 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.349 1.46 . . . . 0.0 110.832 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -27.18 67.41 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.511 0.724 . . . . 0.0 112.789 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -58.69 -47.9 82.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.109 0.868 . . . . 0.0 111.012 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' OE2' ' CD2' ' B' ' 17' ' ' LEU . 0.1 OUTLIER -60.24 -19.28 53.88 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.311 1.444 . . . . 0.0 113.478 173.619 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.577 HD13 ' CE1' ' B' ' 18' ' ' TYR . 21.9 mt -91.59 -44.85 8.81 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.67 0.788 . . . . 0.0 112.257 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.58 -51.52 62.7 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.46 -1.4 . . . . 0.0 112.365 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -0.96 2.37 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 172.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.189 ' CD1' ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -103.74 -50.13 3.49 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 127.163 2.185 . . . . 0.0 108.517 175.252 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.85 -37.53 26.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.157 0.89 . . . . 0.0 110.808 -166.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.14 -28.42 65.35 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.547 1.139 . . . . 0.0 112.822 169.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.18 -51.5 20.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.216 1.007 . . . . 0.0 110.711 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 1.131 ' HB2' ' CD1' ' B' ' 10' ' ' LEU . . . -68.74 52.03 0.08 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.079 2.951 . . . . 0.0 112.978 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.2 tpp -160.62 -53.1 0.05 Allowed 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 126.348 1.859 . . . . 0.0 108.324 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -56.82 -43.8 81.38 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.057 1.298 . . . . 0.0 112.173 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 -36.06 22.23 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.73 0.812 . . . . 0.0 111.086 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.622 ' CE1' HD13 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -58.9 -50.51 73.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.365 0.416 . . . . 0.0 110.436 177.734 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.82 63.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 175.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.31 -59.19 2.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.743 1.217 . . . . 0.0 111.267 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 1.532 ' HB3' ' CZ ' ' B' ' 3' ' ' TYR . . . -61.2 -37.46 83.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.044 0.538 . . . . 0.0 112.053 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -53.92 -40.67 66.93 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -59.62 -42.14 92.02 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.197 0.999 . . . . 0.0 112.637 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -74.88 -40.72 60.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.703 1.201 . . . . 0.0 112.35 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 21' ' ' ALA . 79.5 t -65.48 -49.64 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.25 1.42 . . . . 0.0 111.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.52 34.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.594 1.092 . . . . 0.0 114.568 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.8 136.49 20.0 Favored Pre-proline 0 N--CA 1.478 0.937 0 CA-C-N 118.77 1.285 . . . . 0.0 112.22 178.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.86 -40.95 2.36 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.72 2.28 . . . . 0.0 112.001 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -65.32 -31.67 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.365 0.666 . . . . 0.0 112.2 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.757 ' CD1' HG12 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -70.82 -39.99 72.71 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.762 0.825 . . . . 0.0 111.415 176.644 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.35 83.84 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.418 -0.801 . . . . 0.0 111.958 168.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -66.53 -34.07 77.09 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.919 -1.113 . . . . 0.0 113.125 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' B' ' 40' ' ' HIS . 14.7 mt -59.36 -47.41 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.056 -1.028 . . . . 0.0 111.628 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -34.18 72.82 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 118.898 0.772 . . . . 0.0 111.253 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.99 93.85 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.409 -1.432 . . . . 0.0 112.713 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HB2' ' HE2' ' B' ' 40' ' ' HIS . 0.9 OUTLIER -68.59 -33.45 74.07 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.139 -0.975 . . . . 0.0 112.903 171.656 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.657 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 21.6 mm-40 -67.77 6.26 0.7 Allowed 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 174.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' HG22 ' A' ' 41' ' ' ILE . 3.6 mm-40 -98.99 -49.92 4.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 128.272 2.629 . . . . 0.0 108.546 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -57.15 -35.07 69.07 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.776 -1.202 . . . . 0.0 111.81 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -60.77 -4.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.017 2.527 . . . . 0.0 117.712 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -121.54 -26.62 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 121.292 1.86 . . . . 0.0 111.507 176.541 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.68 -50.14 33.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.495 1.118 . . . . 0.0 111.119 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.81 -26.86 62.57 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.693 0.797 . . . . 0.0 112.751 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 7' ' ' LEU . 1.4 tt -55.46 -55.93 26.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.269 1.427 . . . . 0.0 112.687 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -39.31 93.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.595 -0.69 . . . . 0.0 111.442 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -59.44 -24.93 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.921 0.888 . . . . 0.0 112.759 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -9.34 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.466 1.506 . . . . 0.0 114.043 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -71.6 -8.43 53.98 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.96 1.704 . . . . 0.0 113.483 173.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 CA-C-O 117.51 -1.717 . . . . 0.0 113.846 -178.602 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.747 0.308 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -173.25 -56.49 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.107 1.763 . . . . 0.0 110.549 -175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 1.532 ' CZ ' ' HB3' ' A' ' 21' ' ' ALA . 7.3 t80 -67.41 -58.15 5.28 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.193 0.997 . . . . 0.0 111.273 176.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -30.24 71.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.284 0.634 . . . . 0.0 112.508 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -60.93 -50.08 74.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.755 1.222 . . . . 0.0 110.905 174.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -14.6 5.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.851 1.26 . . . . 0.0 114.042 172.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' B' ' 10' ' ' LEU . 23.2 mt -96.88 -46.47 6.22 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.501 ' CD2' HD13 ' B' ' 44' ' ' LEU . 1.0 OUTLIER -50.82 -50.22 56.96 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.536 -1.353 . . . . 0.0 113.071 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 17.23 0.45 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.699 1.6 . . . . 0.0 114.239 173.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 1.131 ' CD1' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -122.34 -44.11 2.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.665 2.386 . . . . 0.0 108.967 173.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -78.42 -50.37 11.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.708 1.203 . . . . 0.0 110.476 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.88 -24.05 64.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.124 0.97 . . . . 0.0 112.541 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -46.47 57.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.601 -1.312 . . . . 0.0 111.787 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 1.189 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . . . -68.4 -33.5 74.34 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 171.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -51.08 -41.01 59.68 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.781 0.832 . . . . 0.0 112.683 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -56.61 -48.38 77.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.924 0.89 . . . . 0.0 112.658 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.445 ' CD2' ' OE2' ' A' ' 6' ' ' GLU . 10.1 mt -67.63 -38.38 83.81 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.023 0.929 . . . . 0.0 110.873 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.577 ' CE1' HD13 ' A' ' 7' ' ' LEU . 6.2 m-85 -62.07 -31.85 72.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.295 1.438 . . . . 0.0 113.824 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -24.85 22.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.311 0.644 . . . . 0.0 112.526 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.16 -60.51 2.34 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.355 1.062 . . . . 0.0 111.441 -176.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.91 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -84.77 63.17 7.85 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.21 1.404 . . . . 0.0 111.042 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -124.8 -50.7 1.71 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.741 1.216 . . . . 0.0 111.033 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.85 -32.08 72.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.835 1.254 . . . . 0.0 112.252 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -42.73 69.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.416 1.486 . . . . 0.0 113.203 173.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.97 HG21 ' CE2' ' A' ' 3' ' ' TYR . 41.7 t -75.11 -47.27 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.083 0.953 . . . . 0.0 111.773 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.15 48.67 Favored Glycine 0 CA--C 1.539 1.567 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.3 137.1 19.82 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 118.355 1.078 . . . . 0.0 111.549 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.67 -42.08 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.951 2.434 . . . . 0.0 112.137 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.17 -23.82 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.542 HD11 ' OH ' ' A' ' 3' ' ' TYR . 1.7 tt -59.63 -41.9 91.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.768 -1.208 . . . . 0.0 112.129 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.68 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -78.95 -34.66 44.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.324 1.45 . . . . 0.0 112.821 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.47 -45.73 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.421 1.088 . . . . 0.0 111.216 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -31.57 71.4 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.813 0.445 . . . . 0.0 111.841 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -40.64 70.13 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.638 1.575 . . . . 0.0 112.903 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.57 -34.73 78.93 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.658 -1.276 . . . . 0.0 112.179 170.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -67.21 -7.87 27.19 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 168.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -49.5 17.54 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.097 -1.627 . . . . 0.0 112.255 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -36.04 68.75 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 174.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.576 ' CD2' HG12 ' A' ' 33' ' ' ILE . 17.7 m170 -64.19 -4.3 3.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 128.136 2.574 . . . . 0.0 117.347 175.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.75 -31.19 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 120.043 1.292 . . . . 0.0 111.384 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.23 -50.6 63.22 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.405 -0.809 . . . . 0.0 111.412 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -67.35 -27.42 67.11 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' B' ' 8' ' ' TYR . 0.3 OUTLIER -59.64 -55.4 34.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.585 1.154 . . . . 0.0 112.915 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.81 -39.94 93.51 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.376 -0.827 . . . . 0.0 111.416 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -59.3 -21.61 59.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.248 1.019 . . . . 0.0 113.017 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.757 HG12 ' CD1' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -69.78 -12.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.262 1.425 . . . . 0.0 114.344 175.176 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -82.05 -76.86 0.24 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.489 1.516 . . . . 0.0 112.606 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.972 1.749 . . . . 0.0 113.065 -169.966 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . 0.657 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ttt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.43 -27.43 69.1 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -71.14 -2.43 15.74 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.958 1.703 . . . . 0.0 115.191 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -54.97 -26.91 39.84 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -159.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -58.88 -38.8 79.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.054 1.297 . . . . 0.0 112.608 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.31 -25.79 64.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.163 0.985 . . . . 0.0 112.802 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' B' ' 17' ' ' LEU . 51.2 mt -76.78 -48.29 19.07 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.948 0.899 . . . . 0.0 110.821 172.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -46.88 76.66 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.831 1.253 . . . . 0.0 112.264 174.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.18 7.68 3.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.408 1.483 . . . . 0.0 114.456 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.2 mt -114.65 -43.62 3.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 161.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.3 -37.27 60.91 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.339 1.427 . . . . 0.0 113.082 -171.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -78.01 -33.22 51.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.566 -1.333 . . . . 0.0 112.41 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.45 -42.01 90.98 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.218 1.007 . . . . 0.0 111.522 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.889 ' CB ' HD21 ' B' ' 10' ' ' LEU . . . -60.18 -50.9 71.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.617 1.167 . . . . 0.0 112.11 169.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttm -54.52 -42.37 70.77 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -54.03 -38.47 65.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.93 -40.64 14.63 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.232 1.413 . . . . 0.0 111.407 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.25 -39.86 80.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.482 1.113 . . . . 0.0 111.523 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -25.85 51.99 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -71.35 -54.11 11.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.172 0.986 . . . . 0.0 110.562 173.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.23 40.48 0.35 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.517 1.927 . . . . 0.0 113.551 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -110.7 -54.12 2.62 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.251 1.021 . . . . 0.0 109.833 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.56 -37.59 84.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.955 . . . . 0.0 112.884 175.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.61 -18.41 61.05 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -113.56 -39.08 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 118.969 0.804 . . . . 0.0 112.612 -168.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.37 -8.17 20.09 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 167.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.99 129.74 94.09 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.676 1.738 . . . . 0.0 112.252 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.72 -26.7 19.08 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.767 2.311 . . . . 0.0 113.412 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 ' CE3' ' B' ' 43' ' ' TRP . 9.4 p -66.93 -30.08 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.05 -1.031 . . . . 0.0 112.482 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.29 -40.75 95.31 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.39 171.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.3 79.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.226 -0.921 . . . . 0.0 112.919 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -68.81 -34.05 74.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.168 -0.957 . . . . 0.0 113.503 172.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 ' CD2' ' B' ' 40' ' ' HIS . 47.4 mt -57.39 -41.72 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.656 165.673 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.74 -40.98 85.4 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.501 1.501 . . . . 0.0 112.949 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.59 -37.69 80.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.986 1.314 . . . . 0.0 113.036 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.34 -50.04 56.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.21 1.004 . . . . 0.0 112.258 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.598 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 27.1 mm-40 -66.81 -29.65 69.65 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.204 -0.935 . . . . 0.0 111.421 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.82 -48.3 82.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.006 1.275 . . . . 0.0 112.366 169.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.73 -42.81 75.87 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.631 0.772 . . . . 0.0 112.057 171.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' HG23 ' B' ' 33' ' ' ILE . 37.4 m170 -60.03 -34.57 73.56 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 116.869 -1.538 . . . . 0.0 114.485 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 49.9 mm -74.58 -39.79 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.561 1.944 . . . . 0.0 110.661 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.08 -43.66 98.55 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.39 -0.818 . . . . 0.0 110.452 173.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.546 ' HE3' HD11 ' B' ' 33' ' ' ILE . 43.4 m0 -66.85 -33.02 74.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.054 0.941 . . . . 0.0 112.615 170.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.7 tt -58.67 -52.12 67.03 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.495 1.118 . . . . 0.0 112.785 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.2 -41.81 84.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.679 0.792 . . . . 0.0 111.556 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.2 m -62.68 -28.42 69.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.591 1.157 . . . . 0.0 113.453 173.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.41 -9.78 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -71.79 -15.76 62.16 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.75 1.62 . . . . 0.0 114.057 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.23 0 C-N-CA 125.968 1.747 . . . . 0.0 114.131 -174.814 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.556 0.217 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -143.57 149.69 37.77 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.918 1.287 . . . . 0.0 110.641 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -165.97 -39.56 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.763 2.425 . . . . 0.0 109.788 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -57.67 -34.77 69.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.358 1.463 . . . . 0.0 114.322 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -61.4 -43.62 98.55 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 111.902 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.47 -30.64 71.02 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.077 0.951 . . . . 0.0 112.658 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.91 -47.31 75.19 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.729 1.15 . . . . 0.0 111.757 168.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.09 -49.48 71.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.569 0.748 . . . . 0.0 112.034 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.29 4.45 0.71 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.889 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.49 -46.12 2.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.545 1.938 . . . . 0.0 110.844 172.446 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.91 -39.2 72.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.767 1.167 . . . . 0.0 111.156 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -29.37 65.24 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.222 -0.923 . . . . 0.0 113.461 169.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.31 -42.56 79.25 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.124 -0.985 . . . . 0.0 111.964 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.11 96.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.469 0.708 . . . . 0.0 111.956 171.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 37.0 tpp -55.54 -39.04 70.07 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.76 -47.33 77.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.996 0.918 . . . . 0.0 112.855 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' ' 7' ' ' LEU . 59.0 mt -69.72 -42.34 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.147 0.979 . . . . 0.0 111.259 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.03 -38.77 83.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.047 0.939 . . . . 0.0 112.191 175.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -78.22 -30.14 48.69 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.553 1.069 . . . . 0.0 112.96 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -45.64 82.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.375 0.989 . . . . 0.0 109.775 174.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.48 -33.65 76.03 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.395 1.078 . . . . 0.0 113.649 171.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t -66.63 -48.34 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.054 -1.029 . . . . 0.0 112.091 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.66 -26.03 68.21 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.775 1.23 . . . . 0.0 113.462 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -31.52 12.16 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.32 -50.97 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.406 1.003 . . . . 0.0 112.743 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.18 93.77 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.228 0.851 . . . . 0.0 115.228 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -52.7 138.45 42.3 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 118.223 1.012 . . . . 0.0 111.807 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.07 -19.86 38.84 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.307 2.005 . . . . 0.0 117.223 -168.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -90.72 -26.31 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 121.187 1.812 . . . . 0.0 111.694 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.85 -43.43 98.86 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.801 -1.187 . . . . 0.0 110.455 168.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -9.58 17.82 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.362 1.865 . . . . 0.0 115.558 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -20.17 10.63 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.686 1.13 . . . . 0.0 113.802 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 40' ' ' HIS . 71.9 mt -63.15 -40.19 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.169 -0.957 . . . . 0.0 110.699 166.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.52 -21.82 65.83 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -80.87 -41.49 23.06 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.078 1.351 . . . . 0.0 112.214 168.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.25 -48.2 82.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.465 1.106 . . . . 0.0 112.534 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.604 ' OE2' 'ZN ' ' A' ' 50' ' ' ' ZN' . 43.0 mm-40 -66.83 -19.03 65.66 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.507 -0.745 . . . . 0.0 112.136 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -68.19 -44.49 75.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.951 -1.093 . . . . 0.0 111.933 171.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.86 -45.7 89.51 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.091 -0.381 . . . . 0.0 110.397 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.552 ' CD2' HG12 ' A' ' 33' ' ' ILE . 27.0 m170 -58.36 -42.8 87.74 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.436 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 16.2 tt -82.11 -26.88 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.372 1.869 . . . . 0.0 111.999 -174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.17 -49.4 75.98 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.555 -0.715 . . . . 0.0 110.048 163.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.457 ' CE3' HG22 ' A' ' 29' ' ' VAL . 30.3 m0 -64.54 -32.43 74.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.82 0.848 . . . . 0.0 113.254 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 3.4 tt -57.95 -50.28 73.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.528 1.131 . . . . 0.0 112.712 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -58.13 -40.35 81.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.189 0.595 . . . . 0.0 112.006 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.87 -24.2 64.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.614 1.165 . . . . 0.0 113.544 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.82 -11.14 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 120.236 1.38 . . . . 0.0 112.852 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -77.01 -8.45 57.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.233 1.413 . . . . 0.0 113.917 170.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.22 0 C-N-CA 126.066 1.793 . . . . 0.0 114.285 -178.178 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . 0.604 'ZN ' ' OE2' ' B' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . 0.598 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -146.63 113.88 6.25 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.409 1.084 . . . . 0.0 110.384 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -158.39 -42.95 0.06 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.33 -39.51 83.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.939 1.296 . . . . 0.0 113.067 -176.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -54.36 -40.96 68.61 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -32.57 74.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.75 0.705 . . . . 0.0 112.835 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.4 mt -67.98 -48.74 64.95 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.519 0.728 . . . . 0.0 110.828 172.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -49.86 48.21 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.564 1.146 . . . . 0.0 112.599 170.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -58.38 -15.19 9.63 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.325 1.85 . . . . 0.0 115.709 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -106.13 -41.38 5.37 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.408 1.883 . . . . 0.0 110.943 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.92 -35.57 64.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.118 0.967 . . . . 0.0 112.242 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.12 -28.87 62.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.391 0.996 . . . . 0.0 112.994 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -52.25 60.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.825 0.85 . . . . 0.0 110.404 168.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.34 40.22 0.05 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 127.119 2.168 . . . . 0.0 113.676 168.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.7 tpp -139.32 -52.08 0.54 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.497 1.519 . . . . 0.0 111.899 173.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.94 -33.7 67.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.441 0.696 . . . . 0.0 112.724 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -80.57 -36.52 32.83 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 127.759 2.423 . . . . 0.0 113.373 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.68 -38.87 64.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.11 -168.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -35.01 77.45 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 162.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.55 -53.53 27.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.621 1.101 . . . . 0.0 112.371 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.71 84.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.998 0.919 . . . . 0.0 112.738 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t -58.48 -46.26 86.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.259 0.624 . . . . 0.0 112.605 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.97 -27.83 69.67 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -79.82 -50.21 10.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.121 0.968 . . . . 0.0 111.487 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.18 -37.17 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.301 1.04 . . . . 0.0 112.427 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.73 29.79 64.88 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 123.996 0.808 . . . . 0.0 115.111 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.11 133.63 20.45 Favored Pre-proline 0 N--CA 1.474 0.749 0 CA-C-N 118.557 1.179 . . . . 0.0 111.419 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -67.56 -37.18 17.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.357 2.038 . . . . 0.0 112.876 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.38 -28.1 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.133 1.333 . . . . 0.0 113.133 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -42.39 92.22 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.07 -1.019 . . . . 0.0 111.095 170.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -12.79 55.86 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -29.24 14.86 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.999 1.272 . . . . 0.0 113.201 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.526 HG23 ' CG ' ' B' ' 40' ' ' HIS . 60.8 mt -58.4 -46.84 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 111.706 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.2 -31.56 72.81 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.02 79.41 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.665 1.186 . . . . 0.0 113.046 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -76.09 -36.53 58.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.222 1.009 . . . . 0.0 112.848 175.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.68 -23.99 67.4 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.006 -1.059 . . . . 0.0 112.473 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.91 -48.24 81.34 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.641 -1.287 . . . . 0.0 112.095 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -45.55 86.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.094 0.558 . . . . 0.0 110.467 174.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' B' ' 33' ' ' ILE . 35.6 m170 -57.81 -35.5 70.94 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 124.473 1.109 . . . . 0.0 113.835 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 6.9 mm -77.79 -42.94 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 128.384 2.674 . . . . 0.0 110.619 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.83 -45.64 92.93 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.761 -0.587 . . . . 0.0 110.564 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.599 ' CD2' HG21 ' B' ' 29' ' ' VAL . 40.7 m0 -62.11 -35.57 79.11 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.613 0.765 . . . . 0.0 112.308 170.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -58.43 -56.59 20.21 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.305 0.957 . . . . 0.0 112.056 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.05 -41.96 99.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.46 1.104 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -58.2 -36.65 73.42 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.183 0.993 . . . . 0.0 112.808 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -89.99 -7.51 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -95.38 -13.38 24.75 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.419 1.487 . . . . 0.0 113.936 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.238 0 C-N-CA 125.334 1.445 . . . . 0.0 113.833 172.683 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 119.513 -0.279 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 24.8 t0 47.37 45.39 16.89 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.791 1.636 . . . . 0.0 114.781 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -137.16 -46.96 0.57 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.321 1.048 . . . . 0.0 112.667 -172.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -57.82 -34.8 70.05 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.176 1.79 . . . . 0.0 112.584 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.41 -44.3 95.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.876 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.97 -32.69 73.16 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.926 1.239 . . . . 0.0 112.717 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.51 -51.77 57.56 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.411 0.685 . . . . 0.0 110.512 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.06 -50.2 59.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.537 1.535 . . . . 0.0 112.803 171.395 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -68.28 -2.38 8.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.744 2.018 . . . . 0.0 114.93 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -105.8 -45.32 4.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.637 1.175 . . . . 0.0 111.65 163.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.29 -43.28 74.13 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.423 1.01 . . . . 0.0 112.821 -173.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.47 -34.2 67.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.439 -1.413 . . . . 0.0 112.767 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -60.29 -47.66 85.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 110.86 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -56.39 -47.53 78.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.98 1.312 . . . . 0.0 112.405 173.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -53.27 -47.31 69.25 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -58.16 -32.44 68.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.893 1.277 . . . . 0.0 113.278 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.67 -39.42 14.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.951 1.7 . . . . 0.0 111.597 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.96 -40.5 89.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.124 0.57 . . . . 0.0 111.176 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -70.49 -32.46 69.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.802 1.241 . . . . 0.0 114.149 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.11 -51.94 27.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.952 0.882 . . . . 0.0 110.434 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 59.68 4.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.33 1.452 . . . . 0.0 111.786 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -125.24 -50.15 1.67 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.214 1.006 . . . . 0.0 111.83 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.24 -39.45 78.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.379 1.071 . . . . 0.0 111.799 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -32.81 70.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.505 1.122 . . . . 0.0 112.748 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.5 -41.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.499 1.12 . . . . 0.0 111.645 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.8 83.29 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.386 1.469 . . . . 0.0 116.612 167.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -83.23 136.09 43.76 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 119.411 1.605 . . . . 0.0 112.474 -177.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.39 -35.58 4.78 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.831 2.354 . . . . 0.0 113.716 -170.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.599 HG21 ' CD2' ' A' ' 43' ' ' TRP . 9.0 p -65.45 -28.7 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.041 0.837 . . . . 0.0 112.274 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.85 -42.47 84.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.975 1.31 . . . . 0.0 112.003 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.72 -23.62 67.31 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 174.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -94.14 -25.7 17.01 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.569 1.148 . . . . 0.0 113.124 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.614 HG12 ' CD2' ' A' ' 40' ' ' HIS . 43.2 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.989 . . . . 0.0 110.157 168.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 77.6 mt -53.06 -46.89 68.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.314 1.046 . . . . 0.0 112.832 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -37.53 84.17 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.823 1.649 . . . . 0.0 112.565 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -71.2 -41.41 70.3 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.573 1.149 . . . . 0.0 111.99 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.28 -12.74 58.2 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.44 -42.74 64.69 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.953 -1.717 . . . . 0.0 112.784 171.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.41 -39.3 72.82 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.486 -0.759 . . . . 0.0 110.714 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.526 ' CG ' HG23 ' A' ' 33' ' ' ILE . 25.6 m170 -67.42 -3.2 7.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.359 1.863 . . . . 0.0 115.538 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.0 mm -114.85 -40.12 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.821 1.649 . . . . 0.0 110.041 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.88 -52.09 65.54 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.249 -0.907 . . . . 0.0 111.836 173.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -63.23 -31.2 72.29 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.853 -0.53 . . . . 0.0 112.068 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -58.15 9.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.977 1.311 . . . . 0.0 111.788 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.14 -41.32 96.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.742 0.817 . . . . 0.0 111.467 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 68.3 m -58.03 -49.83 75.51 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.662 0.785 . . . . 0.0 112.285 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.9 mm -72.33 -8.42 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -101.32 5.26 42.26 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.689 1.995 . . . . 0.0 113.437 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 C-N-CA 126.012 1.768 . . . . 0.0 113.945 172.475 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 1.056 ' OD1' ' CB ' ' B' ' 21' ' ' ALA . 10.0 t70 48.04 19.36 0.18 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 118.334 2.716 . . . . 0.0 118.334 165.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE1' HD22 ' B' ' 17' ' ' LEU . 7.1 p90 43.06 34.36 0.63 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 126.142 1.777 . . . . 0.0 115.601 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -23.03 64.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 118.005 2.595 . . . . 0.0 118.005 -149.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -55.15 -36.77 66.16 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.03 -29.23 69.55 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.466 1.03 . . . . 0.0 113.231 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.37 -47.03 29.43 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.468 1.107 . . . . 0.0 111.829 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -49.34 37.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.756 0.822 . . . . 0.0 112.409 166.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -69.79 4.98 1.66 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -115.72 -42.19 3.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.168 1.387 . . . . 0.0 111.446 166.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.466 ' OE2' ' OH ' ' B' ' 18' ' ' TYR . 6.1 mm-40 -71.99 -42.53 66.37 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.42 -0.8 . . . . 0.0 112.365 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -73.04 -30.19 63.55 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.97 -1.081 . . . . 0.0 111.959 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -42.83 99.58 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.122 -0.986 . . . . 0.0 111.879 172.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.74 85.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.202 0.601 . . . . 0.0 111.968 171.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.8 tpp -53.21 -44.31 67.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.447 1.099 . . . . 0.0 113.429 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -54.13 -35.82 62.61 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.182 1.393 . . . . 0.0 113.714 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.1 mt -87.23 -38.71 16.09 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.158 1.383 . . . . 0.0 111.069 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.97 -22.94 67.15 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -88.05 -10.09 51.34 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 170.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -103.22 -57.61 2.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.509 1.124 . . . . 0.0 110.52 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.44 59.12 1.41 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.492 1.917 . . . . 0.0 111.492 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -133.97 -49.99 0.82 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.209 1.403 . . . . 0.0 111.573 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.79 -31.57 64.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.153 0.581 . . . . 0.0 111.863 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -79.95 -28.29 39.65 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.859 1.264 . . . . 0.0 113.038 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -85.23 -48.24 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.166 0.986 . . . . 0.0 111.869 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -8.75 70.46 Favored Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.53 140.08 92.09 Favored Pre-proline 0 CA--C 1.551 1.012 0 CA-C-N 119.649 1.724 . . . . 0.0 113.548 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.17 -34.16 6.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.234 2.623 . . . . 0.0 113.589 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p -63.46 -25.3 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.226 -0.921 . . . . 0.0 112.708 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -34.14 72.96 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.353 1.061 . . . . 0.0 112.043 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -21.06 61.53 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 171.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' A' ' 32' ' ' LYS . 11.7 mmpt? -83.31 -33.99 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.812 1.245 . . . . 0.0 112.452 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' B' ' 40' ' ' HIS . 24.2 mm -51.14 -55.16 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.704 0.802 . . . . 0.0 111.131 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.22 -27.13 67.74 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -76.69 -23.9 53.16 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.872 -1.142 . . . . 0.0 113.9 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -77.07 -43.8 33.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.18 0.992 . . . . 0.0 111.432 167.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.95 -20.17 64.97 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.972 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -56.19 -51.96 66.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.803 -1.186 . . . . 0.0 111.958 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -59.92 -38.46 82.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.745 0.818 . . . . 0.0 111.153 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.977 ' CE1' HG23 ' B' ' 33' ' ' ILE . 29.9 m170 -67.98 -8.96 41.66 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -110.1 -37.23 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 109.729 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.53 -50.69 72.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.755 0.822 . . . . 0.0 111.059 172.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.989 ' CE2' HG21 ' B' ' 29' ' ' VAL . 31.1 m0 -65.61 -32.84 74.63 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.853 0.861 . . . . 0.0 112.442 172.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.92 -56.37 23.18 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.115 0.966 . . . . 0.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.23 -42.18 90.44 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.195 0.998 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 m -59.09 -23.83 62.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.329 1.052 . . . . 0.0 113.186 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.723 HD13 HD12 ' B' ' 30' ' ' LEU . 85.2 mt -103.33 -17.31 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 120.136 1.335 . . . . 0.0 112.464 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -71.96 -32.5 67.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.218 1.807 . . . . 0.0 113.195 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.19 0 C-N-CA 125.701 1.619 . . . . 0.0 113.634 176.591 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 45.9 58.44 4.37 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.631 1.972 . . . . 0.0 113.969 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -131.25 -155.95 0.72 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.735 1.614 . . . . 0.0 110.464 -163.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 7' ' ' LEU . 2.4 pp -52.92 -30.79 36.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.052 1.741 . . . . 0.0 114.867 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -37.96 71.97 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.49 -1.381 . . . . 0.0 112.81 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.7 -36.99 86.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.79 1.177 . . . . 0.0 111.774 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 4' ' ' LEU . 95.8 mt -59.84 -53.42 58.14 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.835 0.743 . . . . 0.0 111.636 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -51.13 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.083 0.953 . . . . 0.0 112.903 168.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.5 7.97 2.06 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.542 1.537 . . . . 0.0 114.958 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -115.54 -40.05 3.46 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.683 1.593 . . . . 0.0 111.05 165.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.19 -44.85 64.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.933 0.893 . . . . 0.0 111.515 -177.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -74.98 -29.46 60.91 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.019 . . . . 0.0 113.136 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.7 -41.29 88.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.163 -0.961 . . . . 0.0 112.309 170.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.47 89.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.169 0.588 . . . . 0.0 111.735 170.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.1 ttm -54.24 -39.99 67.3 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.32 -46.49 89.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.392 0.677 . . . . 0.0 111.81 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.453 HD22 ' CE1' ' A' ' 3' ' ' TYR . 57.4 mt -67.43 -38.65 84.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.945 1.298 . . . . 0.0 111.267 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.466 ' OH ' ' OE2' ' A' ' 11' ' ' GLU . 3.7 m-85 -64.15 -10.66 24.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.312 1.445 . . . . 0.0 114.406 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.77 -10.28 11.11 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 170.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -50.47 12.02 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.138 0.975 . . . . 0.0 112.823 -175.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 1.056 ' CB ' ' OD1' ' A' ' 2' ' ' ASP . . . -106.31 -28.25 10.5 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.158 0.983 . . . . 0.0 113.281 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -54.51 -44.63 72.9 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.025 0.93 . . . . 0.0 112.178 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.09 -31.39 71.83 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.679 1.192 . . . . 0.0 113.567 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -81.63 -39.8 23.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.241 1.016 . . . . 0.0 112.932 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' A' ' 2' ' ' ASP . 73.8 t -68.66 -35.71 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.228 1.011 . . . . 0.0 111.775 177.213 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.91 87.27 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.322 1.439 . . . . 0.0 115.427 174.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.85 126.1 92.19 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 118.873 1.336 . . . . 0.0 112.018 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.46 -34.56 2.6 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.213 1.942 . . . . 0.0 114.983 -170.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.989 HG21 ' CE2' ' A' ' 43' ' ' TRP . 11.2 p -72.36 -31.05 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 120.255 1.389 . . . . 0.0 110.986 174.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -65.78 -39.22 90.78 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.448 -0.782 . . . . 0.0 111.238 174.179 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.41 89.19 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 168.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.594 ' HE2' ' CH2' ' A' ' 43' ' ' TRP . 11.9 pttt -67.23 -23.88 65.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.981 HD11 ' HE3' ' A' ' 43' ' ' TRP . 15.1 mt -61.6 -41.44 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.576 1.08 . . . . 0.0 112.537 178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -22.07 66.25 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.11 -31.44 72.58 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.206 1.803 . . . . 0.0 114.002 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -74.66 -38.27 62.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.352 0.661 . . . . 0.0 110.919 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.41 -23.32 67.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.854 0.862 . . . . 0.0 112.523 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.06 -45.71 92.35 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.739 -1.226 . . . . 0.0 112.091 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.77 -39.28 93.89 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.684 -0.635 . . . . 0.0 110.632 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.471 ' CD2' HD13 ' A' ' 33' ' ' ILE . 26.6 m170 -61.41 -24.67 66.67 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 mm -84.67 -42.3 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 127.251 2.22 . . . . 0.0 110.083 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.64 -45.46 93.93 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.338 -0.851 . . . . 0.0 111.202 170.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -67.54 -28.1 67.52 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.59 1.156 . . . . 0.0 113.117 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -50.32 74.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.256 0.934 . . . . 0.0 112.19 172.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.18 -44.2 97.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 111.005 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.8 m -58.08 -32.99 68.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.429 1.092 . . . . 0.0 112.753 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -9.43 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.421 1.488 . . . . 0.0 114.742 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -140.68 15.02 2.33 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.047 1.739 . . . . 0.0 113.599 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 C-N-CA 125.692 1.615 . . . . 0.0 113.201 -177.143 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 119.791 -0.147 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.6 t70 51.45 29.29 5.15 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.89 1.676 . . . . 0.0 114.72 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 14.5 p90 -75.8 -5.77 47.44 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.636 1.574 . . . . 0.0 115.109 -168.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.34 -19.24 0.77 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -55.95 -40.05 72.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.66 1.573 . . . . 0.0 111.926 168.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.88 -33.68 76.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.571 1.078 . . . . 0.0 112.619 176.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD22 ' CE1' ' B' ' 18' ' ' TYR . 89.1 mt -64.49 -48.41 75.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.637 0.653 . . . . 0.0 111.345 170.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.91 0.884 . . . . 0.0 112.311 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -71.55 2.54 4.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -111.33 -42.69 3.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.016 1.326 . . . . 0.0 112.334 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.68 -38.95 53.59 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.13 0.877 . . . . 0.0 112.384 -172.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.96 -27.98 61.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.475 -0.766 . . . . 0.0 112.471 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -51.43 69.94 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.633 -0.667 . . . . 0.0 111.369 164.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.44 42.72 0.1 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.581 1.952 . . . . 0.0 113.872 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.28 -43.02 0.14 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.738 1.615 . . . . 0.0 112.434 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -59.82 -41.2 90.79 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.524 0.73 . . . . 0.0 112.631 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 -32.38 18.02 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.491 1.116 . . . . 0.0 111.58 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD2' HD22 ' B' ' 7' ' ' LEU . 0.1 OUTLIER -59.7 -41.27 90.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.091 0.556 . . . . 0.0 111.145 -177.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -64.29 -36.19 83.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.12 -46.17 68.33 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.101 1.36 . . . . 0.0 110.832 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.1 84.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.626 1.171 . . . . 0.0 111.798 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t -57.38 -45.92 83.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.617 0.767 . . . . 0.0 112.867 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.61 -33.79 70.42 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -89.34 -39.97 13.09 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.43 -37.81 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.16 0.984 . . . . 0.0 111.789 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.44 5.21 66.89 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.751 1.46 . . . . 0.0 116.751 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.55 144.1 97.49 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.405 1.603 . . . . 0.0 112.624 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.17 -33.08 19.64 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.718 2.278 . . . . 0.0 113.061 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.61 -29.24 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.475 -0.765 . . . . 0.0 112.43 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.616 HD11 HG12 ' B' ' 47' ' ' ILE . 9.6 mp -68.21 -43.72 77.4 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.921 -1.112 . . . . 0.0 111.202 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.32 86.84 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.419 0.554 . . . . 0.0 111.924 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -57.01 -44.6 82.95 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 168.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.38 -36.12 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.207 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.09 -41.78 88.91 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.763 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -44.48 90.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.425 1.09 . . . . 0.0 111.942 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.07 -48.79 80.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.699 0.799 . . . . 0.0 112.107 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -68.2 -33.77 75.05 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.898 -1.126 . . . . 0.0 112.678 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -60.99 -43.42 98.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.391 1.451 . . . . 0.0 111.348 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.68 -38.54 85.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -58.05 -32.57 68.13 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 117.199 -1.381 . . . . 0.0 113.944 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 44.9 mm -75.29 -38.54 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 126.19 1.796 . . . . 0.0 110.772 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -43.72 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.097 -1.002 . . . . 0.0 110.478 171.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.453 ' CG ' HG21 ' B' ' 29' ' ' VAL . 39.5 m0 -64.67 -33.52 76.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.402 0.681 . . . . 0.0 112.689 170.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.4 tt -60.1 -50.11 74.99 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.519 1.128 . . . . 0.0 111.935 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.94 -46.4 88.09 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.533 1.133 . . . . 0.0 110.919 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -31.75 68.62 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -6.4 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -63.86 -15.33 58.67 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.449 1.5 . . . . 0.0 114.193 166.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.331 0 C-N-CA 126.437 1.97 . . . . 0.0 114.5 177.66 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 tpt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 119.298 -0.382 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -85.34 121.63 28.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.059 0.944 . . . . 0.0 111.637 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -155.51 -46.89 0.08 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.652 1.181 . . . . 0.0 112.67 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -64.98 -18.01 64.9 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -66.17 -36.94 84.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.47 1.032 . . . . 0.0 112.162 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.73 -46.69 86.81 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.784 0.834 . . . . 0.0 111.666 167.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 18' ' ' TYR . 63.9 mt -60.91 -44.93 96.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.326 0.512 . . . . 0.0 111.731 178.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.502 ' HA ' HD21 ' B' ' 44' ' ' LEU . 1.2 t80 -56.49 -54.41 46.07 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.691 1.196 . . . . 0.0 112.489 174.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -74.0 -1.69 20.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 mt -96.96 -43.24 7.54 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.25 1.42 . . . . 0.0 111.905 164.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.8 -36.08 72.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.853 1.206 . . . . 0.0 111.856 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.85 -27.18 65.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.3 -0.875 . . . . 0.0 113.209 169.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -75.73 -46.34 31.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.72 0.808 . . . . 0.0 111.627 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.4 51.42 0.25 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.201 2.2 . . . . 0.0 112.206 169.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.73 -50.5 0.11 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.384 1.874 . . . . 0.0 112.072 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -48.69 -45.18 38.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.242 1.017 . . . . 0.0 112.588 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.15 -48.11 63.22 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.262 1.025 . . . . 0.0 111.523 -175.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.581 ' CE1' HD22 ' A' ' 7' ' ' LEU . 25.8 m-85 -58.27 -33.2 69.14 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.215 1.006 . . . . 0.0 113.239 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -6.34 47.58 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.45 -53.95 4.21 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.551 1.069 . . . . 0.0 110.39 170.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.419 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -75.67 -1.16 23.45 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 0.0 114.7 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -54.1 -50.54 66.61 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.196 1.362 . . . . 0.0 114.175 -174.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.31 -22.61 64.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -88.08 -29.61 20.51 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.996 1.319 . . . . 0.0 112.673 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 -42.22 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.383 1.073 . . . . 0.0 111.682 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.19 39.07 53.61 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.61 149.89 49.0 Favored Pre-proline 0 N--CA 1.48 1.059 0 CA-C-N 118.759 1.28 . . . . 0.0 113.013 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.31 -34.37 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.228 2.619 . . . . 0.0 113.21 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.453 HG21 ' CG ' ' A' ' 43' ' ' TRP . 8.5 p -65.11 -28.24 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.275 -0.89 . . . . 0.0 112.285 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.64 -45.26 93.63 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.822 1.649 . . . . 0.0 111.831 173.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.3 95.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.133 0.573 . . . . 0.0 112.338 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -64.58 -36.75 85.23 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.243 -0.911 . . . . 0.0 112.704 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.62 -45.05 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.334 1.054 . . . . 0.0 111.282 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -37.45 83.06 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.706 1.139 . . . . 0.0 111.697 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.49 -36.9 85.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.44 1.496 . . . . 0.0 113.41 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.66 -51.02 60.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.873 0.869 . . . . 0.0 112.225 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.86 -14.77 63.23 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -65.91 -61.81 1.85 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.873 1.269 . . . . 0.0 112.112 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -75.8 -17.59 59.81 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -57.74 -0.66 0.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.276 2.23 . . . . 0.0 115.621 162.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 tp -105.72 -31.51 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 120.676 1.58 . . . . 0.0 110.985 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -71.44 -50.62 29.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.275 1.03 . . . . 0.0 110.152 169.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -61.36 -26.58 67.92 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.926 0.89 . . . . 0.0 113.232 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' B' ' 8' ' ' TYR . 53.3 tp -81.05 -28.0 35.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.805 1.242 . . . . 0.0 113.421 173.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.1 -32.88 74.6 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.411 1.459 . . . . 0.0 110.838 164.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -57.16 -24.65 55.78 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.08 -1.012 . . . . 0.0 113.095 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.616 HG12 HD11 ' A' ' 30' ' ' LEU . 16.0 mt -67.18 -15.27 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 120.086 1.312 . . . . 0.0 114.035 177.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -72.31 -9.47 58.53 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.162 1.785 . . . . 0.0 114.685 -175.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 C-N-CA 124.953 1.263 . . . . 0.0 113.55 177.891 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.69 130.3 42.58 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.513 1.051 . . . . 0.0 111.822 173.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.962 ' CE2' HG21 ' B' ' 25' ' ' VAL . 4.0 t80 -151.52 -67.92 0.18 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.185 1.394 . . . . 0.0 109.803 165.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.47 -28.28 68.46 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -67.53 -45.71 74.92 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.142 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.59 -41.02 84.8 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.202 0.91 . . . . 0.0 111.906 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.977 HD21 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mp -60.68 -56.92 15.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.077 0.951 . . . . 0.0 112.984 171.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.22 -54.48 13.39 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.041 0.837 . . . . 0.0 113.025 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -75.99 3.33 10.52 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.89 -45.83 5.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.785 1.234 . . . . 0.0 111.309 158.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.82 -36.77 59.57 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.658 1.117 . . . . 0.0 112.805 -170.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.1 64.99 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.712 -1.242 . . . . 0.0 112.453 170.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.0 -42.6 98.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.251 0.62 . . . . 0.0 111.045 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.544 ' CB ' HD21 ' B' ' 10' ' ' LEU . . . -65.3 -39.16 92.15 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.804 1.242 . . . . 0.0 113.028 173.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttm -57.54 -42.07 82.19 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.292 0.951 . . . . 0.0 112.833 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.1 -30.69 64.57 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 171.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.83 -35.8 11.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.779 1.232 . . . . 0.0 111.14 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.2 m-85 -61.32 -40.13 93.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.063 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.96 -40.48 97.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 168.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.59 ' HG2' ' OH ' ' B' ' 3' ' ' TYR . 21.7 tt0 -76.77 -49.05 16.85 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.716 0.77 . . . . 0.0 112.452 -171.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.76 -42.15 88.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.133 0.973 . . . . 0.0 111.347 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -56.48 -49.65 74.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.017 0.826 . . . . 0.0 112.444 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.46 -30.23 60.18 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -99.84 -32.05 11.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.2 t -84.3 -34.62 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.826 1.25 . . . . 0.0 111.728 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.45 9.24 87.12 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.165 1.226 . . . . 0.0 116.165 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.22 135.38 44.48 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 119.015 1.408 . . . . 0.0 112.169 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.15 -34.79 21.26 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.818 2.345 . . . . 0.0 112.686 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.15 -34.69 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.325 -0.86 . . . . 0.0 112.139 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.679 HD12 HG12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -64.7 -40.08 94.76 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.474 -0.766 . . . . 0.0 111.537 175.741 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.18 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 170.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -67.37 -24.08 65.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.58 -39.29 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.001 0.819 . . . . 0.0 111.649 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -30.42 71.56 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.193 0.906 . . . . 0.0 112.885 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.02 -40.01 75.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.124 1.37 . . . . 0.0 113.065 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.35 -41.29 80.91 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.524 -0.735 . . . . 0.0 112.122 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' OE2' ' CE1' ' B' ' 40' ' ' HIS . 28.3 mm-40 -68.3 -3.67 11.74 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 174.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -84.84 -42.58 14.96 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.446 -1.409 . . . . 0.0 113.069 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -40.77 98.03 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.865 -1.147 . . . . 0.0 110.616 170.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.636 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 2.2 m170 -54.77 -9.41 0.34 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 129.851 3.261 . . . . 0.0 117.216 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.45 -26.67 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.204 1.402 . . . . 0.0 111.691 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.71 -55.75 23.87 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.173 -0.954 . . . . 0.0 110.952 163.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.479 ' CZ3' ' HE3' ' B' ' 32' ' ' LYS . 29.7 m0 -61.12 -33.69 73.78 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.31 0.644 . . . . 0.0 112.236 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -50.63 69.95 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.249 1.42 . . . . 0.0 112.558 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.54 -41.61 96.24 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -57.61 -37.19 72.83 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.598 0.759 . . . . 0.0 112.354 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -65.67 -11.35 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 C-N-CA 125.575 1.55 . . . . 0.0 114.429 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -73.74 -13.27 60.93 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.725 1.21 . . . . 0.0 113.849 170.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 C-N-CA 125.863 1.697 . . . . 0.0 114.06 178.562 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -79.58 61.73 3.66 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.478 1.911 . . . . 0.0 114.157 -171.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.59 ' OH ' ' HG2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -127.77 -67.78 0.81 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.955 1.302 . . . . 0.0 109.97 170.864 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -43.88 -36.03 2.22 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.955 2.502 . . . . 0.0 115.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -66.74 -35.07 79.24 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.268 1.394 . . . . 0.0 113.307 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.04 -36.95 84.63 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.448 1.022 . . . . 0.0 112.331 169.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -45.74 77.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.265 0.484 . . . . 0.0 111.761 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.45 -46.99 66.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.527 1.531 . . . . 0.0 111.954 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -66.16 1.57 1.47 Allowed 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.88 1.808 . . . . 0.0 115.88 172.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.544 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.94 -45.7 3.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.616 1.967 . . . . 0.0 110.165 173.524 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.487 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 9.6 mm-40 -74.72 -46.33 38.28 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.676 0.79 . . . . 0.0 111.501 -171.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.51 -31.99 72.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.259 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.74 -47.71 84.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.404 1.081 . . . . 0.0 111.785 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -39.27 92.56 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.538 -0.727 . . . . 0.0 112.637 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -37.6 74.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -55.53 -48.32 74.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.122 0.874 . . . . 0.0 111.87 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.18 -39.96 74.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.685 1.194 . . . . 0.0 111.995 -173.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.977 ' CE1' HD21 ' A' ' 7' ' ' LEU . 17.0 m-85 -60.86 -31.47 70.92 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -86.53 -30.5 21.88 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -70.22 -54.3 13.37 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.099 0.952 . . . . 0.0 111.358 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.539 ' CB ' ' CD1' ' A' ' 3' ' ' TYR . . . -80.37 41.17 0.52 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.425 1.89 . . . . 0.0 112.893 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -91.03 -54.37 3.98 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.358 -0.839 . . . . 0.0 111.065 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.51 -29.82 70.83 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -29.89 42.84 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.557 1.143 . . . . 0.0 113.321 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.962 HG21 ' CE2' ' A' ' 3' ' ' TYR . 84.7 t -92.54 -40.56 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.487 0.715 . . . . 0.0 112.458 -175.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.12 36.24 81.01 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 172.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.14 135.06 23.69 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.612 1.165 . . . . 0.0 111.178 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -66.5 -21.8 52.54 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.832 2.355 . . . . 0.0 114.996 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -30.02 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 120.502 1.501 . . . . 0.0 112.581 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.625 HD21 ' OH ' ' A' ' 3' ' ' TYR . 4.8 mp -59.04 -35.05 72.66 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.202 -0.937 . . . . 0.0 112.701 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.21 71.21 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.479 ' HE3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -83.26 -35.64 25.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.569 0.748 . . . . 0.0 110.841 172.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.79 -35.57 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.51 -41.01 75.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.37 1.068 . . . . 0.0 113.248 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.03 -42.27 98.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.202 1.001 . . . . 0.0 111.487 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.636 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 72.0 m-20 -57.94 -50.39 73.54 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.626 0.77 . . . . 0.0 111.38 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -68.83 -28.1 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.472 -0.767 . . . . 0.0 112.625 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.83 -35.68 77.26 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.816 -1.177 . . . . 0.0 113.332 170.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -43.96 77.79 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.81 -1.181 . . . . 0.0 109.987 172.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.442 ' CE1' ' OE2' ' A' ' 37' ' ' GLU . 50.6 m170 -56.38 -33.52 65.81 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.029 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.446 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -80.75 -34.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.479 1.912 . . . . 0.0 111.348 -175.384 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.26 -46.8 72.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.696 0.798 . . . . 0.0 109.872 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -61.84 -30.72 71.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.731 0.813 . . . . 0.0 112.593 171.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.1 tt -58.53 -55.36 36.0 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.05 0.94 . . . . 0.0 112.684 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -69.58 -29.74 67.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.01 0.924 . . . . 0.0 112.5 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.2 m -62.28 -29.97 70.8 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.364 -0.835 . . . . 0.0 112.156 170.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.679 HG12 HD12 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -68.45 -7.02 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -179.278 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.12 -19.14 62.69 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.592 1.557 . . . . 0.0 114.854 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.152 0 C-N-CA 125.314 1.435 . . . . 0.0 113.445 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.317 0.579 . . . . 0.0 111.669 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -171.37 -34.63 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.595 1.158 . . . . 0.0 112.506 -165.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -51.57 -27.02 9.78 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.843 1.257 . . . . 0.0 112.931 170.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.8 mt -51.13 -34.37 30.61 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.87 2.468 . . . . 0.0 112.508 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.32 -43.33 61.06 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.409 -1.432 . . . . 0.0 112.028 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -39.74 92.2 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.367 1.067 . . . . 0.0 112.014 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.27 -54.74 43.57 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.072 1.349 . . . . 0.0 111.446 171.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -51.7 56.43 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.559 0.744 . . . . 0.0 112.965 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -1.74 13.89 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.9 -38.33 7.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.192 0.997 . . . . 0.0 111.485 166.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.45 -44.65 34.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.884 0.874 . . . . 0.0 112.113 -172.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.3 75.02 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.549 -0.719 . . . . 0.0 111.905 172.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.0 89.94 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.733 1.213 . . . . 0.0 112.704 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -45.26 79.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.511 0.724 . . . . 0.0 112.27 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -53.52 -41.74 66.67 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.576 1.151 . . . . 0.0 113.015 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -50.58 -35.91 32.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.823 1.649 . . . . 0.0 114.13 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.3 mt -92.29 -41.16 10.54 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.974 1.71 . . . . 0.0 110.971 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.916 ' CE1' HD22 ' B' ' 7' ' ' LEU . 12.5 m-85 -55.74 -43.15 76.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.583 0.753 . . . . 0.0 111.821 172.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -69.53 -29.45 67.06 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.276 -0.89 . . . . 0.0 113.181 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.49 -45.1 66.32 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.969 0.908 . . . . 0.0 110.699 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.98 76.14 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -62.59 -44.99 94.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.401 -0.812 . . . . 0.0 112.421 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -64.66 -35.99 82.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.627 0.771 . . . . 0.0 113.039 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -67.21 -39.48 86.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -144.53 -57.19 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.574 0.749 . . . . 0.0 111.923 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.27 -65.82 0.57 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.339 1.447 . . . . 0.0 111.502 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 48.87 129.84 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 129.622 3.169 . . . . 0.0 116.554 -172.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.82 -40.51 5.14 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.964 1.776 . . . . 0.0 113.876 -168.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG2' ' CE3' ' B' ' 43' ' ' TRP . 2.6 p -75.17 -25.33 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.714 0.688 . . . . 0.0 112.067 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.54 -42.84 77.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.019 1.327 . . . . 0.0 111.922 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.67 79.01 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.444 -0.785 . . . . 0.0 112.261 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -65.32 -39.38 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.0 0.92 . . . . 0.0 112.927 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mt -60.96 -47.26 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.032 0.933 . . . . 0.0 111.615 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -32.73 74.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.312 0.96 . . . . 0.0 112.192 178.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.4 -39.02 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.377 1.471 . . . . 0.0 112.871 171.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.698 ' CB ' ' HE2' ' B' ' 40' ' ' HIS . 86.2 m-20 -72.1 -41.12 67.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.072 -1.018 . . . . 0.0 112.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -63.93 -6.43 6.07 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 171.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -78.94 -54.33 6.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.24 1.382 . . . . 0.0 112.36 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -53.58 -39.48 64.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.126 0.971 . . . . 0.0 111.36 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.705 ' CE1' HG23 ' B' ' 33' ' ' ILE . 7.9 m170 -57.08 -6.3 0.35 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.941 2.897 . . . . 0.0 117.0 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -110.31 -37.82 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.405 1.457 . . . . 0.0 109.972 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.93 -52.94 62.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.291 -0.881 . . . . 0.0 111.161 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD2' HG21 ' B' ' 29' ' ' VAL . 40.6 m0 -59.99 -33.28 71.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.22 0.608 . . . . 0.0 112.18 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.35 -57.17 12.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.412 1.485 . . . . 0.0 112.384 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -31.08 34.26 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.217 1.007 . . . . 0.0 112.299 -178.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.6 m -60.59 -34.99 75.02 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.848 -1.157 . . . . 0.0 111.854 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.13 -8.56 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.36 -20.56 65.62 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.586 -1.321 . . . . 0.0 113.887 166.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.2 0 C-N-CA 126.541 2.02 . . . . 0.0 113.042 176.442 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 ttm . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 119.11 -0.471 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -94.4 91.3 6.6 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.516 1.053 . . . . 0.0 111.825 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -143.96 -51.34 0.31 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.953 1.301 . . . . 0.0 111.863 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pp -48.77 -27.33 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.559 2.344 . . . . 0.0 115.396 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -71.47 -38.06 71.28 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.268 1.827 . . . . 0.0 113.385 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.68 -45.79 85.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 119.15 0.886 . . . . 0.0 111.355 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.916 HD22 ' CE1' ' A' ' 18' ' ' TYR . 1.3 mt -57.61 -42.56 83.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.754 0.706 . . . . 0.0 111.999 176.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.4 -51.88 66.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.428 0.691 . . . . 0.0 112.019 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.75 15.97 0.09 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.711 1.604 . . . . 0.0 115.127 170.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 71.0 mt -125.18 -39.24 2.24 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.529 1.532 . . . . 0.0 111.608 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.37 -51.62 10.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.439 1.096 . . . . 0.0 111.065 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -36.84 84.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.276 1.03 . . . . 0.0 112.953 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.96 -44.44 96.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.392 0.677 . . . . 0.0 111.991 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.4 99.02 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.824 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.88 -40.63 66.75 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.101 1.318 . . . . 0.0 113.87 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -54.18 -50.2 67.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.529 0.731 . . . . 0.0 112.316 172.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt -72.98 -38.21 66.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.619 1.567 . . . . 0.0 111.911 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.94 -44.25 82.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.272 1.429 . . . . 0.0 110.758 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -74.69 -36.17 62.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.986 0.812 . . . . 0.0 111.532 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.59 -46.74 81.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.642 0.777 . . . . 0.0 111.305 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.66 83.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.119 1.368 . . . . 0.0 111.975 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -57.95 -45.65 86.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.171 0.896 . . . . 0.0 112.473 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.31 -20.81 65.82 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -44.22 9.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.472 1.109 . . . . 0.0 112.82 171.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.5 t -84.37 -39.65 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.119 1.367 . . . . 0.0 112.695 -169.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.66 9.25 82.43 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.103 1.335 . . . . 0.0 116.367 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 138.38 83.24 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.546 1.673 . . . . 0.0 112.696 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.28 -35.15 11.58 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.953 2.436 . . . . 0.0 113.209 -173.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 43' ' ' TRP . 9.7 p -67.09 -32.96 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.507 -0.746 . . . . 0.0 111.812 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -41.63 88.34 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.499 -0.751 . . . . 0.0 111.02 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.02 95.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 113.045 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -59.84 -38.95 83.52 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.821 0.848 . . . . 0.0 112.655 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.705 HG23 ' CE1' ' A' ' 40' ' ' HIS . 54.2 mt -61.74 -29.92 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.46 -0.781 . . . . 0.0 113.0 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 31.0 mt -55.79 -41.54 74.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 120.382 1.447 . . . . 0.0 111.389 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -43.52 71.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.594 1.558 . . . . 0.0 113.119 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -44.98 96.51 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.622 -0.674 . . . . 0.0 111.482 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.516 ' OE2' ' CE1' ' A' ' 40' ' ' HIS . 43.8 mm-40 -73.38 -19.8 60.91 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.971 -1.08 . . . . 0.0 113.174 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -45.78 73.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.697 1.135 . . . . 0.0 112.295 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -70.96 -37.72 72.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.367 -0.833 . . . . 0.0 111.354 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.698 ' HE2' ' CB ' ' A' ' 36' ' ' ASP . 26.4 m170 -51.19 -44.64 61.59 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.436 ' HA ' ' HB3' ' B' ' 44' ' ' LEU . 20.0 tt -83.58 -33.27 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.832 1.653 . . . . 0.0 111.189 -170.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.13 -47.85 82.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.096 0.862 . . . . 0.0 109.831 165.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.435 ' CE3' ' CG2' ' A' ' 29' ' ' VAL . 50.4 m0 -72.05 -34.99 69.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.086 0.954 . . . . 0.0 113.383 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' B' ' 41' ' ' ILE . 32.7 tp -66.28 -38.99 89.08 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.513 0.725 . . . . 0.0 111.317 172.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -68.3 -44.99 74.25 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.235 -0.916 . . . . 0.0 111.677 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -58.11 -23.71 55.93 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.33 1.052 . . . . 0.0 113.405 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -5.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -60.61 -19.65 58.47 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 C-N-CA 126.307 1.908 . . . . 0.0 113.433 174.459 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.626 0.727 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 p30 176.26 -20.17 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.922 1.289 . . . . 0.0 114.449 -155.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.428 ' OH ' ' HD2' ' B' ' 24' ' ' ARG . 1.0 OUTLIER 67.08 10.86 8.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.288 2.235 . . . . 0.0 115.492 171.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -34.29 63.6 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.561 1.944 . . . . 0.0 114.803 -170.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -59.21 -43.93 92.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.796 0.839 . . . . 0.0 112.761 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.58 -33.07 75.05 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.944 0.793 . . . . 0.0 112.182 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.93 -45.96 69.47 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 118.507 0.594 . . . . 0.0 110.71 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -50.89 57.36 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.285 1.434 . . . . 0.0 111.652 170.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.88 2.89 0.92 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.9 mt -122.58 -37.32 2.79 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.343 1.457 . . . . 0.0 113.231 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -75.58 -30.56 59.68 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.788 -1.195 . . . . 0.0 111.994 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.15 6.77 7.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.348 1.459 . . . . 0.0 113.595 168.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.31 -44.34 1.58 Allowed 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.833 1.253 . . . . 0.0 111.688 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 59.68 0.06 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.718 0.807 . . . . 0.0 110.059 151.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.0 tpp -158.31 -51.78 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.067 1.747 . . . . 0.0 113.589 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.13 -42.1 98.9 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.297 0.953 . . . . 0.0 112.317 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -31.73 64.94 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.629 0.772 . . . . 0.0 110.968 178.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 1.073 ' CE1' HD22 ' B' ' 7' ' ' LEU . 2.6 m-85 -60.15 -54.89 40.46 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.78 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -60.45 -37.18 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.97 1.259 . . . . 0.0 113.537 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.35 -51.49 69.3 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.607 1.094 . . . . 0.0 111.825 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.7 89.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.986 0.915 . . . . 0.0 112.427 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -64.37 -37.84 88.92 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.494 1.117 . . . . 0.0 113.161 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.51 -28.55 60.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.749 1.219 . . . . 0.0 112.81 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -89.84 -68.11 0.8 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.054 0.941 . . . . 0.0 110.985 169.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.53 -69.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.162 1.785 . . . . 0.0 110.764 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.64 -4.11 3.21 Favored Glycine 0 CA--C 1.544 1.902 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.565 ' CB ' HG12 ' B' ' 47' ' ' ILE . 12.4 t70 70.47 136.04 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 128.182 2.593 . . . . 0.0 111.746 -157.495 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.09 -18.37 50.67 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.831 2.354 . . . . 0.0 115.858 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.91 ' CG1' HD11 ' B' ' 47' ' ' ILE . 3.8 p -65.86 -25.21 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.652 1.569 . . . . 0.0 113.144 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.8 tt -59.13 -41.51 88.41 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.933 -1.104 . . . . 0.0 111.594 174.341 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.12 0.14 1.02 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 172.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -116.96 -31.17 5.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.845 1.658 . . . . 0.0 110.716 172.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.85 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 121.866 -0.521 . . . . 0.0 111.237 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.84 -23.77 66.75 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.92 72.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.298 1.439 . . . . 0.0 112.826 169.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.57 ' OD2' ' NE2' ' B' ' 40' ' ' HIS . 90.6 m-20 -59.12 -46.58 87.96 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.375 -0.828 . . . . 0.0 110.932 171.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.51 -12.25 59.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.69 -51.73 18.16 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.79 -1.194 . . . . 0.0 111.485 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.14 -34.55 73.68 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 121.583 -0.698 . . . . 0.0 111.317 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CE1' HG23 ' B' ' 33' ' ' ILE . 27.2 m170 -62.32 -5.12 2.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.252 2.221 . . . . 0.0 116.282 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -31.3 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.441 1.496 . . . . 0.0 110.872 176.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.93 -49.98 58.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.683 0.793 . . . . 0.0 111.146 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CG ' HG21 ' B' ' 29' ' ' VAL . 30.0 m0 -60.79 -34.55 74.67 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 172.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -58.25 9.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.505 1.122 . . . . 0.0 111.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -68.19 -38.5 82.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.986 0.914 . . . . 0.0 112.356 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.3 m -57.12 -23.5 47.59 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.79 1.236 . . . . 0.0 113.86 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.34 -9.8 9.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 127.158 2.183 . . . . 0.0 110.274 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -90.13 -5.93 55.94 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.669 1.988 . . . . 0.0 112.846 173.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 126.245 1.879 . . . . 0.0 113.965 175.303 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -151.79 152.34 32.55 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.26 1.424 . . . . 0.0 110.752 173.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -51.93 -35.14 44.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.095 1.358 . . . . 0.0 113.022 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.29 -14.58 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -68.66 -38.77 80.67 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.233 1.379 . . . . 0.0 111.104 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.01 -43.69 98.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.303 168.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 1.073 HD22 ' CE1' ' A' ' 18' ' ' TYR . 87.4 mt -56.65 -52.02 66.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.648 1.113 . . . . 0.0 112.058 174.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.05 47.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.347 1.059 . . . . 0.0 112.727 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -74.92 -2.37 26.71 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.4 mt -103.54 -38.08 7.29 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.728 1.611 . . . . 0.0 111.54 167.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.49 -36.0 53.08 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.561 1.073 . . . . 0.0 112.059 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.556 1.071 . . . . 0.0 112.586 169.081 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -54.79 24.84 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.019 0.528 . . . . 0.0 110.602 169.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.86 46.07 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.181 2.192 . . . . 0.0 113.598 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -45.67 0.21 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.903 1.681 . . . . 0.0 111.472 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.85 -51.96 65.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.616 0.766 . . . . 0.0 112.052 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.04 69.12 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.37 -43.56 97.28 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.562 1.074 . . . . 0.0 111.988 -173.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.75 -44.64 86.26 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.5 -48.11 65.29 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.589 1.086 . . . . 0.0 112.547 -172.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.59 91.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.622 1.169 . . . . 0.0 111.272 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -58.64 -43.96 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.261 0.625 . . . . 0.0 112.494 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.21 -25.57 47.7 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.82 1.248 . . . . 0.0 114.054 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 0.428 ' HD2' ' OH ' ' A' ' 3' ' ' TYR . 58.1 mtt180 -104.76 -42.71 5.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.571 1.149 . . . . 0.0 113.723 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.97 -35.34 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.196 1.398 . . . . 0.0 112.054 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 1.68 56.9 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 133.85 91.82 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 119.718 1.759 . . . . 0.0 112.005 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.18 -34.13 10.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.696 2.264 . . . . 0.0 113.489 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.407 HG21 ' CG ' ' A' ' 43' ' ' TRP . 6.2 p -68.84 -29.48 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.27 0.941 . . . . 0.0 112.165 175.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -43.08 95.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.193 0.997 . . . . 0.0 111.213 172.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.09 99.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.028 0.531 . . . . 0.0 112.324 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.82 -34.31 72.89 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.342 1.057 . . . . 0.0 113.013 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.551 HG23 ' CE1' ' A' ' 40' ' ' HIS . 66.0 mt -66.02 -41.66 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.842 -0.599 . . . . 0.0 111.714 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -37.98 84.77 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.397 0.999 . . . . 0.0 111.899 174.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.84 -38.07 89.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.745 1.218 . . . . 0.0 112.276 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -74.59 -33.53 62.66 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -72.06 -13.77 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.232 -1.543 . . . . 0.0 113.315 171.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.23 -53.47 29.89 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.325 0.966 . . . . 0.0 112.392 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -24.69 64.0 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.57 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 14.2 m170 -59.03 -14.77 10.49 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.477 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 2.9 tt -115.31 -24.8 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.16 1.384 . . . . 0.0 112.645 -167.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.85 -48.99 76.65 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.439 -0.788 . . . . 0.0 110.042 158.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -60.41 -36.52 78.33 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.484 0.714 . . . . 0.0 112.593 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.4 tt -57.98 -48.26 80.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.857 1.263 . . . . 0.0 112.443 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -65.58 -43.25 90.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.775 1.23 . . . . 0.0 112.214 175.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 98.1 m -55.78 -40.37 72.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.163 0.985 . . . . 0.0 112.403 173.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.91 HD11 ' CG1' ' A' ' 29' ' ' VAL . 36.5 mt -61.72 -13.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.511 1.925 . . . . 0.0 114.835 174.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -109.37 -41.93 4.49 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.607 1.563 . . . . 0.0 114.014 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 C-N-CA 129.159 3.266 . . . . 0.0 116.649 179.328 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.052 0.453 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -157.5 165.54 35.36 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.895 1.278 . . . . 0.0 109.87 172.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 1.121 ' OH ' ' HB3' ' B' ' 20' ' ' GLU . 5.4 t80 61.73 -48.54 0.15 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 128.985 2.914 . . . . 0.0 114.551 -172.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.78 -25.55 68.28 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 127.738 2.415 . . . . 0.0 114.981 -171.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -55.82 -43.23 76.77 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.693 0.797 . . . . 0.0 112.601 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.41 -35.63 76.24 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.206 0.912 . . . . 0.0 112.531 175.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 2.0 mp -71.13 -46.58 61.35 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.565 1.146 . . . . 0.0 112.265 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -48.21 66.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.484 0.713 . . . . 0.0 112.809 169.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -69.02 7.11 0.76 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 173.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.85 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -122.01 -45.82 2.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.885 2.074 . . . . 0.0 110.449 176.471 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' B' ' 37' ' ' GLU . 5.4 mm-40 -73.97 -48.22 31.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.113 0.965 . . . . 0.0 111.014 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.3 69.88 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.53 -0.731 . . . . 0.0 112.097 174.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.15 -47.27 86.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.837 0.855 . . . . 0.0 111.672 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.61 95.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.454 0.702 . . . . 0.0 112.32 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -40.42 75.41 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.48 1.036 . . . . 0.0 113.446 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -55.95 -46.75 78.45 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.082 0.856 . . . . 0.0 112.358 172.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 6' ' ' GLU . 65.5 mt -70.74 -41.51 71.73 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.037 0.935 . . . . 0.0 111.601 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.3 -39.41 92.9 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.641 0.776 . . . . 0.0 111.565 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -74.23 -33.86 63.49 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.354 0.979 . . . . 0.0 112.51 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.24 -46.88 81.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.449 0.568 . . . . 0.0 110.8 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' CB ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.92 -42.76 98.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.868 1.267 . . . . 0.0 112.664 172.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -56.05 -51.13 68.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.251 -0.905 . . . . 0.0 112.109 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -71.88 -1.31 13.83 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -114.91 -17.65 11.47 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.812 1.645 . . . . 0.0 114.45 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG21 ' OH ' ' B' ' 3' ' ' TYR . 24.5 t -131.6 -32.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.183 0.993 . . . . 0.0 112.96 -172.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.11 71.54 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 171.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.07 139.93 95.95 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 119.574 1.687 . . . . 0.0 112.309 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.29 -34.81 9.35 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.783 2.322 . . . . 0.0 113.399 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -71.39 -26.0 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.278 -0.889 . . . . 0.0 112.693 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -39.11 82.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.172 0.989 . . . . 0.0 111.556 172.226 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.38 70.07 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -81.26 -30.71 34.01 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.315 -0.866 . . . . 0.0 113.122 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' B' ' 40' ' ' HIS . 95.7 mt -55.63 -45.57 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.716 1.207 . . . . 0.0 111.346 164.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.97 -43.89 91.44 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.297 0.953 . . . . 0.0 112.024 175.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -42.69 99.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.923 1.289 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.75 -42.71 77.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.236 0.615 . . . . 0.0 111.966 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.686 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 50.7 mm-40 -67.19 -26.35 66.58 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.749 -1.219 . . . . 0.0 113.535 173.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.95 -46.18 90.23 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.018 1.735 . . . . 0.0 112.06 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -57.73 -41.44 81.83 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.879 -0.513 . . . . 0.0 111.202 173.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.662 ' CD2' HG12 ' B' ' 33' ' ' ILE . 34.6 m170 -65.08 -13.2 57.41 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.83 -38.88 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.96 1.704 . . . . 0.0 109.663 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.21 -48.65 79.7 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.47 -0.768 . . . . 0.0 111.028 171.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.595 ' CG ' HG21 ' B' ' 29' ' ' VAL . 28.4 m0 -63.99 -34.89 79.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.478 0.711 . . . . 0.0 112.423 172.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -59.55 4.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.739 0.816 . . . . 0.0 111.656 176.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.51 -41.73 97.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 111.777 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 m -59.02 -31.15 68.56 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.286 1.034 . . . . 0.0 112.923 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.82 -19.87 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.363 1.065 . . . . 0.0 113.172 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -77.27 -26.27 52.29 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.245 1.418 . . . . 0.0 114.102 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.799 1.666 . . . . 0.0 113.375 173.701 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.0 ttm . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -147.49 -60.42 0.27 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.461 0.705 . . . . 0.0 112.824 -170.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.587 ' CE2' ' CB ' ' A' ' 21' ' ' ALA . 42.5 p90 -147.48 -41.05 0.18 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.578 1.551 . . . . 0.0 110.791 176.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -29.97 -45.79 0.06 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 129.805 3.242 . . . . 0.0 113.958 164.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -73.25 -41.87 63.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.996 1.319 . . . . 0.0 112.911 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.0 mt-10 -61.6 -28.13 69.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.273 -0.87 . . . . 0.0 112.113 168.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.02 -55.44 14.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.667 1.121 . . . . 0.0 110.432 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -51.11 63.1 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.359 1.063 . . . . 0.0 113.681 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -73.38 -5.27 38.66 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 54.4 mt -100.26 -40.64 7.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.329 0.513 . . . . 0.0 111.721 165.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.08 -35.34 64.22 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.267 -0.896 . . . . 0.0 112.666 -171.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -31.62 57.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.187 -0.945 . . . . 0.0 112.483 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -40.47 97.65 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.568 -0.707 . . . . 0.0 111.844 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.85 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -52.38 -44.45 65.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.733 0.813 . . . . 0.0 112.118 172.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.83 -40.3 97.0 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -59.49 -44.96 92.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.343 0.657 . . . . 0.0 112.14 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.416 HD12 HD22 ' A' ' 10' ' ' LEU . 60.4 mt -68.51 -40.34 80.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.055 0.942 . . . . 0.0 111.859 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.614 ' CE1' ' CD2' ' A' ' 7' ' ' LEU . 9.5 m-85 -63.33 -42.19 98.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.414 0.686 . . . . 0.0 111.679 177.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -73.61 -26.84 60.98 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.358 0.981 . . . . 0.0 113.221 174.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLU . . . . . 1.121 ' HB3' ' OH ' ' A' ' 3' ' ' TYR . 21.1 tt0 -70.57 -53.48 15.86 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.075 0.852 . . . . 0.0 111.632 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.925 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . . . -56.16 -24.03 38.72 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.764 1.226 . . . . 0.0 113.623 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -37.12 71.74 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.606 1.163 . . . . 0.0 113.513 171.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -23.83 63.78 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -91.58 -42.55 10.15 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.316 1.046 . . . . 0.0 113.512 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 t -135.38 -54.78 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.846 0.748 . . . . 0.0 112.933 -171.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.65 51.32 53.18 Favored Glycine 0 CA--C 1.535 1.341 0 N-CA-C 114.657 0.623 . . . . 0.0 114.657 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.67 148.93 9.0 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.164 0.986 . . . . 0.0 112.193 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.09 -31.54 75.72 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.043 1.829 . . . . 0.0 112.909 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.595 HG21 ' CG ' ' A' ' 43' ' ' TRP . 7.1 p -71.88 -28.18 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 174.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.53 -41.82 90.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.784 1.234 . . . . 0.0 111.239 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.53 97.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.24 -36.11 83.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.996 0.918 . . . . 0.0 112.897 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.662 HG12 ' CD2' ' A' ' 40' ' ' HIS . 60.5 mt -68.46 -45.63 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.693 0.797 . . . . 0.0 111.771 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -29.16 70.53 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.348 0.976 . . . . 0.0 112.083 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -40.26 96.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.837 1.655 . . . . 0.0 112.739 170.153 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.592 ' HB2' ' HE2' ' A' ' 40' ' ' HIS . 71.8 m-20 -75.13 -37.06 61.55 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.191 -0.943 . . . . 0.0 112.649 175.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.741 ' OE2' 'ZN ' ' A' ' 50' ' ' ' ZN' . 32.5 mm-40 -65.0 -13.82 58.81 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.315 -0.866 . . . . 0.0 113.158 169.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.18 -49.09 53.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.143 1.338 . . . . 0.0 111.861 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -42.07 61.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.582 0.753 . . . . 0.0 111.133 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.557 ' CD2' HG12 ' A' ' 33' ' ' ILE . 33.0 m170 -66.94 -1.87 4.57 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 116.215 1.932 . . . . 0.0 116.215 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -111.71 -40.09 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.323 1.449 . . . . 0.0 110.184 173.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -48.92 74.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.307 -0.87 . . . . 0.0 111.735 173.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -64.76 -29.34 70.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.474 0.71 . . . . 0.0 112.475 173.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -59.82 4.8 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.314 1.446 . . . . 0.0 111.646 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.68 -33.96 76.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.5 1.12 . . . . 0.0 111.51 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.9 m -60.49 -22.13 63.19 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.516 1.126 . . . . 0.0 113.484 170.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.35 -6.98 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.818 1.647 . . . . 0.0 114.245 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.24 -10.82 60.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.374 1.47 . . . . 0.0 114.532 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.206 0 C-N-CA 125.471 1.51 . . . . 0.0 112.981 -178.342 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . 0.741 'ZN ' ' OE2' ' B' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . 0.686 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 121.278 0.561 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -147.56 -177.29 5.62 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.179 2.192 . . . . 0.0 109.326 -170.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.412 ' CE1' ' HB1' ' B' ' 21' ' ' ALA 0.253 1.8 p90 48.49 -7.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 171.184 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -56.2 -19.15 12.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.919 2.487 . . . . 0.0 115.321 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -58.4 -34.28 70.57 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.0 -1.062 . . . . 0.0 113.842 171.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.1 -38.32 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.005 1.275 . . . . 0.0 112.488 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.3 -55.86 29.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.246 1.419 . . . . 0.0 110.75 167.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -50.11 43.45 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.246 0.546 . . . . 0.0 112.294 176.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -66.89 -3.63 7.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -113.76 -35.73 5.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.915 1.286 . . . . 0.0 112.096 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.37 -40.31 70.68 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.89 1.276 . . . . 0.0 112.179 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -79.55 -18.77 51.05 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.207 -0.933 . . . . 0.0 113.453 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -72.81 -43.86 62.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.06 -1.025 . . . . 0.0 110.786 166.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 47.85 0.16 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.876 2.07 . . . . 0.0 112.924 165.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.2 tpp -153.35 -53.36 0.11 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.217 1.807 . . . . 0.0 111.265 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -59.83 -43.51 94.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.732 0.696 . . . . 0.0 111.648 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -70.41 -42.45 71.64 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.054 1.341 . . . . 0.0 111.672 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.442 ' CE2' HD23 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -64.39 -27.97 69.37 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.656 0.783 . . . . 0.0 112.618 178.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -95.37 -17.37 21.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 -56.44 6.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.189 0.904 . . . . 0.0 111.217 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 50.45 1.15 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.114 1.766 . . . . 0.0 113.524 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -105.64 -50.9 3.1 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.959 0.904 . . . . 0.0 111.399 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.81 -38.17 90.12 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -72.54 -33.84 67.13 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.36 -41.3 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 118.474 0.579 . . . . 0.0 112.485 -171.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.43 -12.63 9.64 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 171.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -66.96 136.72 94.43 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-N 119.802 1.801 . . . . 0.0 112.799 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.29 -29.41 7.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.998 2.465 . . . . 0.0 113.875 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.77 -27.82 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 120.999 -1.063 . . . . 0.0 112.746 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.38 -41.35 93.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.775 1.63 . . . . 0.0 112.009 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.77 73.29 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.61 -0.681 . . . . 0.0 112.692 170.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -65.0 -34.75 79.18 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.098 -1.001 . . . . 0.0 112.79 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.7 -49.92 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.327 1.051 . . . . 0.0 111.611 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.289 1.7 pp -64.85 -17.35 64.2 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.873 1.67 . . . . 0.0 113.594 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -79.21 -43.85 23.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.549 1.539 . . . . 0.0 113.919 165.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.52 -46.11 84.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.014 1.326 . . . . 0.0 112.777 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.89 -10.43 53.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.37 -48.07 52.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 112.278 170.428 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -59.43 -37.46 78.15 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -62.89 -11.46 18.51 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -107.17 -38.86 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 126.837 2.055 . . . . 0.0 109.596 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.13 -45.97 92.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.074 -1.016 . . . . 0.0 111.682 172.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -64.62 -32.59 74.31 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.885 0.874 . . . . 0.0 112.411 171.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -50.74 68.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.707 1.203 . . . . 0.0 112.064 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.24 -39.6 90.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.228 1.411 . . . . 0.0 111.871 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -60.37 -36.05 77.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.552 0.741 . . . . 0.0 112.264 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mt -75.29 -12.49 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.617 1.567 . . . . 0.0 113.777 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -71.67 -10.15 59.34 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.826 1.25 . . . . 0.0 113.987 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 C-N-CA 125.881 1.705 . . . . 0.0 114.137 179.46 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.44 168.55 10.6 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.582 0.628 . . . . 0.0 111.358 168.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -147.79 -50.95 0.18 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.526 0.73 . . . . 0.0 111.099 164.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -32.15 2.89 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 115.156 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -58.13 -42.67 86.32 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.615 -1.303 . . . . 0.0 114.043 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -64.67 -28.01 69.31 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.961 1.255 . . . . 0.0 112.417 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 18' ' ' TYR . 2.5 mp -74.26 -44.44 52.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.269 1.028 . . . . 0.0 111.397 174.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' TYR . . . . . 0.409 ' HA ' HD11 ' B' ' 44' ' ' LEU . 0.3 OUTLIER -53.92 -50.13 67.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.86 1.264 . . . . 0.0 112.256 171.532 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.83 8.05 1.7 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.301 1.44 . . . . 0.0 114.772 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -114.31 -42.68 3.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.235 1.014 . . . . 0.0 112.333 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.34 -43.61 73.31 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.31 0.959 . . . . 0.0 111.961 -174.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.5 -31.91 65.74 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.229 -0.919 . . . . 0.0 113.024 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.11 -43.55 98.71 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.898 0.879 . . . . 0.0 112.02 173.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.6 74.54 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.802 -0.561 . . . . 0.0 111.945 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.0 tpp -51.0 -41.69 59.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.763 1.225 . . . . 0.0 113.303 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -54.31 -40.77 68.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -79.75 -44.54 20.53 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 125.098 1.359 . . . . 0.0 111.178 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.4 -39.37 67.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.884 1.274 . . . . 0.0 112.21 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -79.77 -24.9 41.18 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -79.92 -51.19 9.4 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.738 0.78 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -76.43 -15.96 59.8 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -171.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -52.62 -49.67 64.63 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.142 1.337 . . . . 0.0 113.837 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -68.38 -12.29 60.91 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -102.16 -35.5 8.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.35 1.46 . . . . 0.0 112.752 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.15 -39.7 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.887 0.875 . . . . 0.0 111.315 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.27 -20.78 3.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.216 1.389 . . . . 0.0 115.934 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.07 126.45 89.06 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 119.25 1.525 . . . . 0.0 111.671 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.96 -21.36 27.99 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.876 2.384 . . . . 0.0 115.036 -172.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -24.36 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.387 1.449 . . . . 0.0 112.593 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.93 -39.18 74.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.481 1.512 . . . . 0.0 112.17 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.05 85.17 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.52 -0.738 . . . . 0.0 112.938 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.7 -35.47 81.14 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.996 0.918 . . . . 0.0 112.362 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.24 -47.56 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 111.49 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -32.31 72.23 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.361 0.982 . . . . 0.0 112.383 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.88 -42.0 99.61 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.034 1.334 . . . . 0.0 112.759 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -65.42 -47.72 75.26 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.547 0.739 . . . . 0.0 111.403 171.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.99 -26.41 64.07 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.37 -52.2 49.25 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.366 1.439 . . . . 0.0 111.689 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.31 -37.09 69.45 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.713 1.605 . . . . 0.0 112.883 174.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -57.54 -29.42 64.36 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 117.344 -1.312 . . . . 0.0 114.205 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 35.1 mm -75.74 -34.12 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.376 1.871 . . . . 0.0 110.949 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.64 -47.08 82.79 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 171.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -61.61 -31.19 71.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.733 0.813 . . . . 0.0 112.729 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 2.1 tt -62.3 -49.97 73.51 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.72 0.808 . . . . 0.0 112.522 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.47 -33.65 76.04 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.609 -0.682 . . . . 0.0 111.734 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.3 m -55.99 -24.76 40.68 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.0 -1.063 . . . . 0.0 113.365 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.46 -10.11 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 120.157 1.344 . . . . 0.0 113.223 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -69.47 -13.37 62.31 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.332 1.853 . . . . 0.0 114.025 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 C-N-CA 126.089 1.804 . . . . 0.0 114.207 -178.858 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttp . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 119.615 -0.231 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 42.06 45.11 3.31 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.599 1.96 . . . . 0.0 116.084 166.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 1.149 ' CZ ' ' CB ' ' B' ' 21' ' ' ALA . 38.6 t80 -144.51 -69.16 0.3 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.267 1.027 . . . . 0.0 112.173 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.519 HD12 ' H ' ' A' ' 4' ' ' LEU . 1.2 mp -55.82 -31.36 62.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.535 1.534 . . . . 0.0 114.683 -169.015 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -54.29 -40.19 67.66 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.477 1.111 . . . . 0.0 113.263 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.9 -34.83 79.03 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.227 0.921 . . . . 0.0 111.798 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -71.38 -42.21 68.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.121 0.968 . . . . 0.0 112.086 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -51.02 34.27 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.739 0.816 . . . . 0.0 112.413 163.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.0 8.32 0.76 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 174.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.526 ' CD1' HD12 ' B' ' 17' ' ' LEU . 83.0 mt -118.8 -42.14 2.74 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.915 1.686 . . . . 0.0 111.284 169.068 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.9 -47.2 39.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.723 1.209 . . . . 0.0 111.866 -174.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.88 -33.74 74.27 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.396 -0.815 . . . . 0.0 112.085 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -60.61 -48.98 79.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.258 1.023 . . . . 0.0 111.706 172.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.75 96.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.54 0.736 . . . . 0.0 112.439 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 tpp -53.84 -44.41 70.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.952 0.901 . . . . 0.0 112.811 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -54.12 -40.24 67.17 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.527 1.131 . . . . 0.0 112.602 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.428 HD12 ' CD1' ' B' ' 10' ' ' LEU . 71.4 mt -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.052 1.341 . . . . 0.0 112.032 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' B' ' 7' ' ' LEU . 11.7 m-85 -66.66 -31.65 72.47 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.315 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -72.39 -33.72 67.4 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.873 1.215 . . . . 0.0 114.01 166.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.23 -53.7 15.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.511 1.124 . . . . 0.0 111.42 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.27 -9.65 58.47 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.869 1.267 . . . . 0.0 114.231 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -56.13 -51.08 69.23 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.627 1.103 . . . . 0.0 113.412 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -61.78 -36.53 81.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.931 0.892 . . . . 0.0 112.159 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -80.28 -28.62 38.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.454 1.102 . . . . 0.0 113.632 -176.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.707 HG22 ' OH ' ' B' ' 3' ' ' TYR . 78.1 t -93.42 -44.98 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.339 1.056 . . . . 0.0 111.792 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.05 -10.03 4.82 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.29 139.72 97.6 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 119.885 1.843 . . . . 0.0 112.205 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.96 -27.29 12.28 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.883 2.389 . . . . 0.0 113.443 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -68.12 -20.12 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.863 1.21 . . . . 0.0 113.324 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.06 -35.19 66.68 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.953 -1.092 . . . . 0.0 112.455 167.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.87 78.5 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.833 0.742 . . . . 0.0 112.593 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.72 -39.69 56.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.835 0.854 . . . . 0.0 112.204 174.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.0 -49.03 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.747 0.819 . . . . 0.0 110.309 173.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.06 -44.13 78.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.882 1.273 . . . . 0.0 112.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -42.13 92.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.333 1.453 . . . . 0.0 111.971 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.83 -46.45 81.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.053 0.541 . . . . 0.0 111.651 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -64.82 -20.64 66.5 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.73 -47.32 75.7 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.442 1.474 . . . . 0.0 112.232 171.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.67 -35.29 74.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.498 0.719 . . . . 0.0 111.379 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.05 -3.21 12.27 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mm -113.62 -37.79 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.718 1.607 . . . . 0.0 109.967 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.59 -48.66 78.77 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.328 -0.857 . . . . 0.0 111.479 171.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -75.36 -30.33 60.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.653 0.781 . . . . 0.0 112.737 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.5 -59.29 4.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.429 1.092 . . . . 0.0 111.163 168.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.13 -42.76 91.4 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.4 1.08 . . . . 0.0 111.996 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 m -59.48 -43.54 93.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.932 0.893 . . . . 0.0 112.307 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -22.1 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.632 1.173 . . . . 0.0 113.432 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -73.12 -11.51 60.56 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.439 1.896 . . . . 0.0 113.736 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.587 2.041 . . . . 0.0 114.755 175.87 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -138.81 -17.51 1.09 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -159.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.707 ' OH ' HG22 ' A' ' 25' ' ' VAL . 45.4 p90 -74.56 -23.19 58.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.976 1.31 . . . . 0.0 114.39 -173.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.64 -36.94 85.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.546 1.539 . . . . 0.0 112.722 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -68.72 -42.1 78.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.001 0.921 . . . . 0.0 112.375 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -59.34 -40.58 86.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.971 0.805 . . . . 0.0 111.001 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' A' ' 18' ' ' TYR . 2.1 mp -55.5 -55.17 34.94 Favored 'General case' 0 N--CA 1.461 0.108 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 171.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -48.15 -52.34 21.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 168.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.04 5.81 0.85 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 17' ' ' LEU . 82.1 mt -118.06 -44.92 2.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.176 1.79 . . . . 0.0 111.657 169.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.13 -45.71 63.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.92 0.782 . . . . 0.0 111.285 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -35.33 79.76 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.438 -0.789 . . . . 0.0 112.85 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -58.65 -49.1 78.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.839 0.856 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.84 92.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -49.03 70.46 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -59.05 -33.0 70.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.539 1.136 . . . . 0.0 112.931 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.526 HD12 ' CD1' ' A' ' 10' ' ' LEU . 79.4 mt -83.66 -39.22 20.49 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.864 1.666 . . . . 0.0 112.273 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.58 ' CD1' HD22 ' A' ' 7' ' ' LEU . 3.9 m-85 -64.87 -41.65 95.48 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.337 0.398 . . . . 0.0 110.237 -175.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.87 -36.43 83.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.2 -50.24 74.79 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.139 0.975 . . . . 0.0 111.288 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 1.149 ' CB ' ' CZ ' ' A' ' 3' ' ' TYR . . . -69.68 -41.6 75.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.076 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t -54.66 -45.19 73.79 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.054 1.297 . . . . 0.0 112.681 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -64.27 -2.9 2.39 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.761 1.625 . . . . 0.0 115.266 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -125.65 -39.37 2.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.599 1.56 . . . . 0.0 113.247 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.7 t -83.63 -37.33 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.022 1.729 . . . . 0.0 111.741 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.78 1.47 54.49 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.085 1.594 . . . . 0.0 117.085 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.93 136.56 95.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 119.917 1.859 . . . . 0.0 112.268 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.53 -36.05 9.39 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.657 2.238 . . . . 0.0 113.59 -171.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.47 -23.42 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.548 1.067 . . . . 0.0 112.679 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -42.87 99.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 111.387 169.324 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.59 88.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.532 -0.73 . . . . 0.0 112.284 170.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -60.65 -36.51 78.86 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.934 -1.104 . . . . 0.0 112.995 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.083 0.553 . . . . 0.0 110.763 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -25.69 62.59 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.9 -35.06 77.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.229 1.412 . . . . 0.0 112.38 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -71.1 -43.75 67.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.974 0.51 . . . . 0.0 111.952 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -62.26 -23.53 66.74 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -57.76 -43.53 85.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.151 0.98 . . . . 0.0 112.356 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -42.31 99.05 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.085 0.554 . . . . 0.0 110.945 172.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -67.98 -9.52 46.17 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 tp -114.79 -33.16 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.081 1.753 . . . . 0.0 110.465 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.6 -51.83 66.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.041 0.936 . . . . 0.0 111.36 167.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -67.32 -31.25 71.41 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.464 0.706 . . . . 0.0 112.632 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.52 -52.9 60.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.383 1.073 . . . . 0.0 111.883 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.58 -43.6 84.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.652 1.181 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.9 m -61.14 -44.92 96.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.208 1.003 . . . . 0.0 111.98 172.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.17 -16.54 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.401 1.481 . . . . 0.0 113.585 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -100.59 11.3 39.78 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.596 2.358 . . . . 0.0 113.192 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.201 0 C-N-CA 125.533 1.54 . . . . 0.0 113.532 176.441 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mtm . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 120.919 0.39 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -167.48 -34.11 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.179 1.392 . . . . 0.0 112.98 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' B' ' 21' ' ' ALA . 51.0 p90 -49.99 -19.84 0.8 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.115 2.166 . . . . 0.0 115.763 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.502 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.75 -21.07 44.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.065 1.746 . . . . 0.0 114.884 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.7 ttt-85 -60.96 -40.15 92.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.023 0.829 . . . . 0.0 110.838 160.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -12.16 58.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.135 1.774 . . . . 0.0 114.725 170.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 4' ' ' LEU . 12.6 mt -95.42 -47.16 6.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.1 1.36 . . . . 0.0 111.539 171.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -47.89 62.32 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.477 1.511 . . . . 0.0 112.646 173.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -3.85 2.39 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 173.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -120.59 -42.53 2.53 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.245 1.818 . . . . 0.0 111.418 -177.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.59 -45.54 58.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.144 1.338 . . . . 0.0 111.393 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.49 62.34 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.443 -0.785 . . . . 0.0 112.575 174.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -45.6 80.0 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.325 -0.859 . . . . 0.0 111.38 168.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.1 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.045 0.938 . . . . 0.0 112.531 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 ttm -52.52 -45.1 66.14 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.88 1.218 . . . . 0.0 112.327 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -58.18 -29.42 65.62 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.704 1.602 . . . . 0.0 113.293 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.0 mt -93.36 -35.74 12.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.594 1.557 . . . . 0.0 111.432 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.523 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.4 m-85 -55.55 -48.94 73.93 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.423 0.556 . . . . 0.0 110.998 171.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -66.71 -34.28 77.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.67 -47.53 31.24 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.516 0.674 . . . . 0.0 111.746 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' B' ' 3' ' ' TYR . . . -58.61 -42.84 89.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.432 1.093 . . . . 0.0 111.734 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -53.09 -43.07 66.5 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.143 0.883 . . . . 0.0 113.292 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.45 63.85 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -106.01 -38.02 6.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.667 1.187 . . . . 0.0 113.637 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.31 -36.2 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.2 1.4 . . . . 0.0 111.564 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.23 7.59 72.46 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 116.427 1.331 . . . . 0.0 116.427 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -81.44 137.02 48.56 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 119.457 1.629 . . . . 0.0 112.453 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.81 -33.71 15.86 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.99 2.46 . . . . 0.0 113.17 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.23 -25.58 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.256 -0.903 . . . . 0.0 112.491 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.66 -43.08 94.76 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.537 172.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.61 89.36 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.416 -0.802 . . . . 0.0 112.334 172.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.75 -30.17 71.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.71 0.804 . . . . 0.0 113.104 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.1 mt -69.99 -40.52 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.391 0.541 . . . . 0.0 111.954 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -29.35 70.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 118.893 0.769 . . . . 0.0 112.255 173.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -40.26 78.14 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.632 -1.292 . . . . 0.0 113.571 171.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.51 -45.1 66.24 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.192 -0.942 . . . . 0.0 112.431 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -64.61 -12.3 44.08 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 0.0 112.63 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.85 -51.22 42.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.319 -1.488 . . . . 0.0 111.486 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.66 -35.48 76.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.033 0.533 . . . . 0.0 111.768 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.476 ' CE1' HG23 ' B' ' 33' ' ' ILE . 29.4 m170 -57.73 -22.52 47.04 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.174 -1.393 . . . . 0.0 114.288 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.45 -42.22 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.653 1.981 . . . . 0.0 111.146 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.69 -43.69 98.38 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.101 -1.0 . . . . 0.0 110.593 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -65.96 -32.25 73.64 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.437 0.695 . . . . 0.0 112.657 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -58.57 7.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.404 1.002 . . . . 0.0 111.617 172.083 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.31 -39.88 94.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.726 1.21 . . . . 0.0 111.385 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.18 -43.77 92.18 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.913 0.885 . . . . 0.0 112.431 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.15 -8.15 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -75.99 -12.31 60.11 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.266 1.826 . . . . 0.0 113.169 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.206 1.86 . . . . 0.0 114.423 176.318 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -156.21 -47.28 0.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -126.64 -53.18 1.46 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.053 0.941 . . . . 0.0 111.047 -172.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.1 -25.63 32.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.151 1.38 . . . . 0.0 113.708 167.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -48.71 55.31 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.117 0.967 . . . . 0.0 111.707 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.85 -40.27 66.36 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.29 0.95 . . . . 0.0 111.448 170.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -66.29 -51.66 55.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.401 1.08 . . . . 0.0 112.697 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.87 -49.19 20.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.323 1.849 . . . . 0.0 112.663 167.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -74.44 4.24 6.27 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.57 -41.41 5.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 111.672 162.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.523 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 7.9 mm-40 -69.28 -46.34 67.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.72 -36.02 77.88 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.013 -1.055 . . . . 0.0 111.571 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -57.93 -47.41 82.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.58 1.152 . . . . 0.0 111.836 170.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.816 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -58.15 -50.95 71.73 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.293 1.037 . . . . 0.0 111.395 173.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.29 -39.37 72.57 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.816 0.846 . . . . 0.0 113.055 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -54.82 -39.61 68.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.289 1.036 . . . . 0.0 113.194 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -85.78 -43.75 13.07 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 126.694 1.997 . . . . 0.0 111.421 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.58 -48.22 66.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.458 1.103 . . . . 0.0 111.603 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -28.04 62.4 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -62.88 -49.78 73.5 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.254 0.934 . . . . 0.0 110.675 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . . . -60.25 -35.89 76.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.167 0.987 . . . . 0.0 112.834 172.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -42.51 96.44 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.41 -0.806 . . . . 0.0 112.97 173.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.61 -35.48 80.3 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.468 -0.77 . . . . 0.0 112.866 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -77.61 -27.08 51.09 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t -143.82 -56.17 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 124.831 1.252 . . . . 0.0 112.273 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.68 38.5 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.5 0.96 . . . . 0.0 115.5 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 150.62 15.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 118.067 0.933 . . . . 0.0 113.056 173.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.07 -41.03 10.43 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.437 2.091 . . . . 0.0 113.111 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.95 -28.26 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.288 -0.883 . . . . 0.0 112.206 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -49.96 75.82 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.759 0.823 . . . . 0.0 110.232 169.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.29 84.4 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -64.45 -25.17 67.89 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.476 HG23 ' CE1' ' A' ' 40' ' ' HIS . 30.3 mt -76.41 -46.03 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 118.304 0.502 . . . . 0.0 112.112 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.9 mt -59.52 -27.75 66.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.892 0.877 . . . . 0.0 112.454 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.84 -38.92 79.78 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.167 1.787 . . . . 0.0 112.569 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -79.75 -47.87 14.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 111.442 171.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.62 -23.61 65.38 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.068 1.747 . . . . 0.0 114.239 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.2 -38.62 66.04 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.304 1.042 . . . . 0.0 112.586 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -79.31 -31.12 43.13 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.579 1.951 . . . . 0.0 111.427 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -43.67 -34.93 1.61 Allowed 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 126.899 2.08 . . . . 0.0 114.663 170.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.432 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 45.8 mm -74.62 -38.58 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 128.353 2.661 . . . . 0.0 111.665 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.24 -45.41 91.7 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.443 -0.785 . . . . 0.0 109.744 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -65.96 -32.74 74.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.3 tt -59.0 -52.14 67.05 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.482 1.037 . . . . 0.0 112.084 176.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.24 -40.1 96.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.841 0.856 . . . . 0.0 111.61 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -58.98 -31.28 68.62 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.077 0.951 . . . . 0.0 112.851 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -9.71 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -69.29 -11.35 60.74 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.688 1.595 . . . . 0.0 114.519 175.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.461 0 C-N-CA 126.84 2.162 . . . . 0.0 115.61 179.176 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 119.315 -0.374 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -161.57 -46.17 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.662 0.665 . . . . 0.0 112.647 160.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.775 ' CD1' ' HB2' ' B' ' 21' ' ' ALA . 59.1 m-85 -48.72 -53.48 18.74 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.649 1.18 . . . . 0.0 112.306 -174.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -45.46 -29.7 1.19 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.217 2.207 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -67.47 -43.1 81.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.551 1.523 . . . . 0.0 113.325 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.04 -40.08 92.26 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.829 1.195 . . . . 0.0 111.565 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD22 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mt -68.74 -45.59 71.06 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.124 0.569 . . . . 0.0 111.91 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -55.16 -47.79 74.64 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.533 1.06 . . . . 0.0 112.226 171.44 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -70.63 9.8 0.59 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.861 1.664 . . . . 0.0 114.452 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.2 mt -125.05 -46.66 1.81 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.06 1.744 . . . . 0.0 112.041 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.39 -53.98 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.623 1.569 . . . . 0.0 110.878 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.38 -38.33 83.56 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.18 -0.95 . . . . 0.0 112.748 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -34.91 78.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB2' ' CD2' ' B' ' 10' ' ' LEU . . . -75.19 -34.39 61.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.249 1.02 . . . . 0.0 113.203 172.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -30.06 61.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.192 0.905 . . . . 0.0 112.307 178.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -56.4 -51.47 68.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.573 1.149 . . . . 0.0 113.25 167.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.9 mt -70.43 -42.72 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.125 1.37 . . . . 0.0 111.76 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.29 -39.48 69.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.761 1.624 . . . . 0.0 111.86 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.02 -27.27 33.16 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.226 0.921 . . . . 0.0 112.801 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -71.59 -45.74 61.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.12 0.968 . . . . 0.0 111.809 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.08 73.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.921 0.888 . . . . 0.0 112.743 170.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.652 0.781 . . . . 0.0 112.222 173.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.21 -26.31 67.33 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -81.46 -38.48 26.32 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 171.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -138.29 -60.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.004 0.922 . . . . 0.0 112.74 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.03 53.0 28.92 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-N 118.683 0.674 . . . . 0.0 114.232 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.9 153.94 5.52 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.329 1.051 . . . . 0.0 113.161 172.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.16 -37.89 13.5 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.491 2.128 . . . . 0.0 112.981 -170.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -26.67 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.784 -0.573 . . . . 0.0 112.184 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.44 89.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.267 1.027 . . . . 0.0 110.481 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.85 76.63 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.55 -38.41 90.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.921 0.888 . . . . 0.0 112.457 172.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 ' CE1' ' B' ' 40' ' ' HIS . 68.4 mt -66.46 -39.84 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.399 1.08 . . . . 0.0 112.796 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -45.6 63.97 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.422 1.464 . . . . 0.0 110.522 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -41.2 81.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.453 1.501 . . . . 0.0 113.252 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.36 -44.86 95.48 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.627 -0.67 . . . . 0.0 111.782 171.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' OE2' ' CE1' ' B' ' 40' ' ' HIS . 24.0 mm-40 -71.79 -19.74 61.96 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.162 -0.962 . . . . 0.0 112.847 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.28 -50.76 64.51 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.838 -1.164 . . . . 0.0 112.217 170.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -38.43 82.01 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.853 -1.155 . . . . 0.0 111.675 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -65.21 -1.93 2.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 tp -108.95 -33.42 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.705 1.602 . . . . 0.0 111.187 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.27 -54.8 15.11 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.987 -0.446 . . . . 0.0 109.907 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CD2' HG21 ' B' ' 29' ' ' VAL . 28.9 m0 -58.13 -37.51 74.74 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.206 0.602 . . . . 0.0 112.463 176.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 8' ' ' TYR . 1.1 tt -47.29 -55.27 9.05 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.207 1.403 . . . . 0.0 112.966 -177.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -89.01 -39.11 13.91 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 112.154 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.1 m -58.58 -19.04 34.87 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.608 1.163 . . . . 0.0 113.489 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' B' ' 27' ' ' ASP . 5.0 mt -54.19 -22.68 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.189 1.396 . . . . 0.0 113.857 168.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.52 15.22 1.81 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.484 1.914 . . . . 0.0 113.618 -178.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.291 0 C-N-CA 126.69 2.091 . . . . 0.0 114.901 -176.447 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtp . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -130.83 120.87 24.34 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.593 1.157 . . . . 0.0 111.245 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.8 -68.82 0.35 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.169 1.388 . . . . 0.0 108.921 171.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -37.16 2.53 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.86 2.064 . . . . 0.0 114.6 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -54.55 -45.11 73.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.406 1.912 . . . . 0.0 113.897 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -16.55 62.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.325 1.05 . . . . 0.0 113.49 177.088 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 10' ' ' LEU . 1.3 mp -96.44 -44.29 7.26 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.6 1.16 . . . . 0.0 111.745 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.93 -50.99 62.9 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.571 1.548 . . . . 0.0 111.994 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -74.03 5.63 4.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.581 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -106.19 -46.73 3.99 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 127.355 2.262 . . . . 0.0 108.558 169.373 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -77.79 -40.33 40.99 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.006 0.821 . . . . 0.0 110.086 -166.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -34.56 77.27 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.9 0.88 . . . . 0.0 112.253 170.378 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -51.36 54.71 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.955 1.302 . . . . 0.0 112.068 175.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.37 89.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.728 1.211 . . . . 0.0 111.968 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -54.53 -45.74 73.45 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.715 1.143 . . . . 0.0 112.465 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -53.23 -44.99 68.53 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.909 0.777 . . . . 0.0 112.308 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.7 mt -72.45 -44.49 62.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.33 1.052 . . . . 0.0 111.387 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.837 ' CE1' HD22 ' A' ' 7' ' ' LEU . 4.1 m-85 -54.05 -41.14 67.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.834 1.654 . . . . 0.0 112.052 175.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -80.85 -28.27 36.14 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -76.41 -51.34 12.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 122.371 1.081 . . . . 0.0 111.374 -177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.775 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -74.43 48.12 0.33 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.313 2.245 . . . . 0.0 113.927 175.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -109.67 -50.68 2.96 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.377 -0.827 . . . . 0.0 111.791 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.14 -35.03 79.83 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -76.34 -37.17 57.7 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.44 -43.8 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.528 0.604 . . . . 0.0 112.177 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.75 43.78 97.25 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 115.374 0.91 . . . . 0.0 115.374 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.429 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -115.11 137.95 23.23 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 118.501 1.15 . . . . 0.0 112.154 -178.609 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.98 -32.2 11.43 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.773 2.316 . . . . 0.0 112.504 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.667 HG21 ' CD2' ' A' ' 43' ' ' TRP . 8.9 p -64.41 -31.89 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 121.699 -0.626 . . . . 0.0 111.861 175.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -40.92 83.27 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.739 -1.226 . . . . 0.0 112.743 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.03 86.3 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.438 0.695 . . . . 0.0 112.676 172.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -61.59 -37.12 82.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.878 1.271 . . . . 0.0 112.379 174.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.454 HG21 ' CE1' ' B' ' 18' ' ' TYR . 44.3 mt -66.13 -35.99 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.262 1.425 . . . . 0.0 111.895 175.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -33.65 72.74 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.429 1.468 . . . . 0.0 112.947 172.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -43.84 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.985 1.314 . . . . 0.0 112.846 173.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.92 -47.17 75.65 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.381 -0.825 . . . . 0.0 112.161 176.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -67.69 -10.69 54.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.742 0.817 . . . . 0.0 112.946 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -73.33 -53.27 11.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.13 -0.981 . . . . 0.0 112.531 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -32.96 74.44 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.892 -1.13 . . . . 0.0 112.314 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.441 ' CE1' HG23 ' A' ' 33' ' ' ILE . 2.3 m170 -58.48 -1.31 0.13 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 130.343 3.457 . . . . 0.0 118.097 175.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -117.22 -26.08 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 120.451 1.478 . . . . 0.0 110.935 173.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.08 -55.5 8.09 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.79 0.836 . . . . 0.0 110.208 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -59.75 -34.06 72.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.873 0.869 . . . . 0.0 112.254 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tt -51.11 -51.04 57.36 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.004 1.722 . . . . 0.0 112.789 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -75.74 -32.23 59.91 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 50.5 m -55.18 -30.51 60.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.705 0.802 . . . . 0.0 112.731 172.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mm -57.44 -18.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -92.24 2.49 56.59 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.911 1.684 . . . . 0.0 114.091 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 C-N-CA 125.668 1.604 . . . . 0.0 113.177 -177.397 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -128.57 -59.24 1.15 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.032 0.933 . . . . 0.0 111.746 177.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' HE1' HG22 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -170.68 -150.26 0.07 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.963 2.105 . . . . 0.0 107.904 173.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.55 -27.15 2.57 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 129.213 3.005 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.85 -44.82 82.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.681 0.673 . . . . 0.0 112.414 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -35.11 79.82 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.563 1.074 . . . . 0.0 112.151 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.65 -44.4 90.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.601 0.637 . . . . 0.0 112.033 172.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -52.62 -51.39 60.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.995 0.918 . . . . 0.0 111.867 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -67.6 1.2 2.54 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.51 -40.31 4.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.539 1.536 . . . . 0.0 111.753 168.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.55 -44.4 67.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.322 1.049 . . . . 0.0 112.117 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -31.19 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.162 -0.961 . . . . 0.0 112.3 173.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.13 -45.53 91.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.757 0.823 . . . . 0.0 111.561 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.71 94.44 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -40.54 72.79 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.054 -1.029 . . . . 0.0 113.671 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.47 -43.74 89.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.474 0.71 . . . . 0.0 112.547 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.21 -38.85 78.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.962 0.905 . . . . 0.0 111.527 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.557 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 20.0 m-85 -61.49 -38.26 86.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -76.29 -29.44 57.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.061 1.3 . . . . 0.0 113.057 174.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -65.53 -48.56 72.05 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.13 0.967 . . . . 0.0 111.125 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.76 -30.89 71.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.126 0.97 . . . . 0.0 113.1 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -64.88 -46.48 81.61 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.94 -1.1 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.39 -37.82 78.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.267 1.027 . . . . 0.0 112.179 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.472 HH11 ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -88.43 -29.18 20.39 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -175.741 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.48 -50.16 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.478 1.111 . . . . 0.0 112.254 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.47 35.08 91.23 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 115.257 0.863 . . . . 0.0 115.257 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.597 ' HB3' HD11 ' B' ' 47' ' ' ILE . 12.1 t70 -54.98 140.73 60.99 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.027 0.931 . . . . 0.0 111.559 174.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.34 -35.69 96.16 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.381 2.054 . . . . 0.0 115.086 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 1.036 ' CG2' ' CD2' ' B' ' 43' ' ' TRP . 2.5 p -71.9 -27.42 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 120.678 1.581 . . . . 0.0 112.069 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.33 -44.08 95.94 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.589 1.156 . . . . 0.0 111.331 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.12 89.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.467 0.707 . . . . 0.0 112.772 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.77 -35.45 80.65 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.442 -0.786 . . . . 0.0 112.833 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.722 HG12 ' CD2' ' B' ' 40' ' ' HIS . 37.2 mt -64.92 -53.74 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 117.911 0.323 . . . . 0.0 111.2 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.32 -20.99 66.25 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.8 -41.67 91.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.012 1.325 . . . . 0.0 112.733 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -71.25 -43.07 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.688 0.795 . . . . 0.0 111.352 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.63 -18.06 65.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.761 1.224 . . . . 0.0 113.87 -171.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.03 -46.77 32.75 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.064 -1.023 . . . . 0.0 113.515 168.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.1 -36.57 77.72 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.61 -1.306 . . . . 0.0 110.939 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.662 ' CE1' HG23 ' B' ' 33' ' ' ILE . 2.0 m-70 -54.69 -6.59 0.12 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.868 2.867 . . . . 0.0 117.236 167.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 tp -114.33 -35.45 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 120.587 1.54 . . . . 0.0 110.234 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -52.13 59.39 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.502 0.592 . . . . 0.0 110.999 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -61.02 -43.29 99.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.355 0.662 . . . . 0.0 111.594 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.3 -35.28 80.33 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.56 1.144 . . . . 0.0 112.84 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.38 -48.63 22.09 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.427 1.012 . . . . 0.0 111.871 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.8 m -54.13 -36.52 63.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.449 1.022 . . . . 0.0 112.138 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.252 13.4 mm -70.57 -3.16 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -59.29 -22.57 61.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 120.351 -1.468 . . . . 0.0 114.703 165.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 C-N-CA 125.345 1.45 . . . . 0.0 113.55 177.752 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 52.65 64.36 1.89 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.263 1.825 . . . . 0.0 115.478 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -139.25 -41.12 0.46 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.529 1.131 . . . . 0.0 113.541 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' B' ' 7' ' ' LEU . 3.4 pp -48.98 -26.77 2.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.33 2.252 . . . . 0.0 115.616 165.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.3 -47.34 50.68 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 121.649 2.022 . . . . 0.0 111.908 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -61.32 -40.6 94.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.036 0.835 . . . . 0.0 111.47 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 4' ' ' LEU . 73.8 mt -58.06 -53.73 54.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.419 0.688 . . . . 0.0 112.353 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.67 -50.23 60.79 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.992 0.814 . . . . 0.0 112.345 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -68.86 6.93 0.76 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 65.5 mt -115.57 -43.56 3.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.21 1.404 . . . . 0.0 111.835 164.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.557 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 6.1 mm-40 -67.83 -48.74 65.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.159 1.384 . . . . 0.0 111.922 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.99 -30.51 66.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 112.719 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -64.03 -41.67 97.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.577 0.751 . . . . 0.0 111.944 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.75 84.57 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.504 0.722 . . . . 0.0 112.004 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -54.87 -46.11 74.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.844 0.858 . . . . 0.0 113.295 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -54.24 -38.06 65.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.482 1.113 . . . . 0.0 112.914 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.15 -37.45 28.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.854 1.262 . . . . 0.0 111.424 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.39 -34.73 71.06 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.78 -26.84 44.51 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -75.03 -52.85 10.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.003 0.82 . . . . 0.0 112.526 -170.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.67 -1.61 25.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -57.49 -56.23 24.58 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.15 -32.04 72.6 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.406 0.683 . . . . 0.0 112.082 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -74.55 -34.93 63.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.882 1.273 . . . . 0.0 113.005 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.406 HG22 ' HE1' ' A' ' 3' ' ' TYR . 95.2 t -80.63 -52.27 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.785 0.834 . . . . 0.0 111.78 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.87 47.63 65.46 Favored Glycine 0 CA--C 1.541 1.665 0 N-CA-C 115.464 0.945 . . . . 0.0 115.464 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -130.05 150.18 75.26 Favored Pre-proline 0 N--CA 1.479 1.015 0 CA-C-N 118.711 1.256 . . . . 0.0 112.587 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.42 -34.52 3.43 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.825 2.35 . . . . 0.0 114.381 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -68.07 -24.94 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.9 1.227 . . . . 0.0 112.47 -178.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.58 -45.26 83.95 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.808 1.243 . . . . 0.0 111.686 171.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.9 89.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.686 0.795 . . . . 0.0 112.61 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -64.12 -34.73 78.72 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.351 -0.843 . . . . 0.0 112.428 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.662 HG23 ' CE1' ' A' ' 40' ' ' HIS . 16.1 mt -67.72 -45.13 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.432 0.693 . . . . 0.0 112.778 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.84 -26.55 66.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.014 0.825 . . . . 0.0 112.916 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.9 -32.02 70.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.351 1.461 . . . . 0.0 113.323 172.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -71.19 -41.86 69.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.37 1.068 . . . . 0.0 112.788 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.24 -23.32 66.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.219 -0.925 . . . . 0.0 112.536 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.9 -42.52 94.03 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.169 -0.957 . . . . 0.0 112.326 174.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.04 -46.67 77.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.71 0.404 . . . . 0.0 110.49 171.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.722 ' CD2' HG12 ' A' ' 33' ' ' ILE . 35.7 m170 -56.67 -44.19 81.15 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.525 -1.226 . . . . 0.0 113.63 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.449 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 1.2 tp -77.2 -32.08 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.733 2.413 . . . . 0.0 111.636 -173.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.73 -46.77 71.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.346 -0.846 . . . . 0.0 110.45 168.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 1.036 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 44.3 m0 -63.97 -29.64 70.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.678 0.791 . . . . 0.0 112.775 171.269 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.449 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 2.1 tt -57.88 -55.94 28.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.642 1.177 . . . . 0.0 112.443 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.58 -32.94 74.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.56 -0.713 . . . . 0.0 112.519 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -57.76 -28.97 64.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 170.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -67.54 -6.41 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -58.91 -24.56 62.5 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.218 1.407 . . . . 0.0 114.476 173.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.217 0 C-N-CA 125.56 1.552 . . . . 0.0 113.154 -179.691 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 67.67 -179.95 0.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.522 1.929 . . . . 0.0 113.806 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.658 ' CZ ' HG11 ' B' ' 25' ' ' VAL . 0.6 OUTLIER -111.29 -82.06 0.58 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.376 1.471 . . . . 0.0 110.508 -173.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -26.82 68.9 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.868 1.267 . . . . 0.0 113.107 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -73.75 -42.94 60.41 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.631 -1.293 . . . . 0.0 111.748 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.32 -41.08 88.24 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.279 165.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.926 HD22 ' CE1' ' B' ' 18' ' ' TYR . 76.3 mt -56.68 -51.62 68.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.007 1.276 . . . . 0.0 111.686 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.6 -51.76 52.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.635 0.731 . . . . 0.0 112.33 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.99 2.58 3.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.801 1.64 . . . . 0.0 115.303 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.6 ' CD1' HD12 ' B' ' 17' ' ' LEU . 75.8 mt -113.4 -40.78 3.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.196 1.798 . . . . 0.0 111.395 169.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.31 -44.18 72.24 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.27 1.028 . . . . 0.0 111.229 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -69.69 -34.72 74.33 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.184 -0.948 . . . . 0.0 112.989 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -44.22 97.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.713 0.805 . . . . 0.0 111.554 173.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.38 83.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.369 0.668 . . . . 0.0 111.592 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ttm -53.32 -39.09 63.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.281 1.032 . . . . 0.0 113.48 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -62.94 -39.13 93.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD12 HD12 ' B' ' 10' ' ' LEU . 64.0 mt -71.17 -41.16 70.72 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.1 0.96 . . . . 0.0 110.796 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.41 -7.71 27.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.254 1.422 . . . . 0.0 114.412 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -105.84 -7.18 18.42 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 167.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -119.14 -49.31 2.4 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.067 0.849 . . . . 0.0 112.416 -169.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -34.39 71.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.235 1.014 . . . . 0.0 111.966 169.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -58.45 -39.86 81.01 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.119 2.168 . . . . 0.0 114.083 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -71.43 -30.77 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.635 -0.666 . . . . 0.0 112.522 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.861 ' HB3' ' HE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -78.79 -29.14 44.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.581 1.153 . . . . 0.0 113.721 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.85 -35.26 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.89 1.276 . . . . 0.0 112.59 -170.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.09 8.0 72.86 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 116.521 1.368 . . . . 0.0 116.521 173.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.657 ' CB ' HD11 ' B' ' 47' ' ' ILE . 0.3 OUTLIER -64.43 134.85 96.12 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 119.381 1.591 . . . . 0.0 112.29 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.29 -38.08 5.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.173 1.915 . . . . 0.0 113.131 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' B' ' 43' ' ' TRP . 7.8 p -68.13 -30.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.399 1.0 . . . . 0.0 112.258 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -68.08 -46.65 70.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.965 1.306 . . . . 0.0 110.931 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.66 86.61 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.17 -41.27 90.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.922 1.289 . . . . 0.0 113.788 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.712 HG23 ' CE1' ' B' ' 40' ' ' HIS . 9.0 mt -58.85 -37.09 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -171.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.59 -21.64 64.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -171.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.77 -35.51 80.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.786 1.634 . . . . 0.0 112.787 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -66.93 -45.04 79.11 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.676 -0.64 . . . . 0.0 110.777 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -62.79 -31.94 73.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.369 -0.832 . . . . 0.0 112.336 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.12 -45.18 95.75 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.371 1.068 . . . . 0.0 111.657 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' HE2' ' N ' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -61.9 -47.83 83.21 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.756 0.822 . . . . 0.0 111.582 171.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.643 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 43.4 m170 -55.45 -44.15 76.11 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.554 1.142 . . . . 0.0 113.545 -175.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 14.6 tt -85.1 -27.55 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 126.119 1.768 . . . . 0.0 111.974 -172.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.54 -46.85 86.51 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 110.46 164.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -63.99 -36.94 85.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.006 0.523 . . . . 0.0 112.253 170.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.7 tt -58.9 -50.56 73.57 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.984 0.811 . . . . 0.0 112.409 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -55.28 -45.7 76.16 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.988 0.915 . . . . 0.0 112.232 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.1 m -60.91 -42.92 99.03 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.705 0.802 . . . . 0.0 112.251 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.888 HD11 ' CG1' ' B' ' 29' ' ' VAL . 14.7 mt -61.61 -31.31 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.19 1.396 . . . . 0.0 114.366 174.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -84.08 -39.1 19.96 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.071 1.748 . . . . 0.0 113.255 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 C-N-CA 126.947 2.213 . . . . 0.0 114.523 -179.2 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 65.18 -15.21 0.1 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.514 2.326 . . . . 0.0 116.693 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.861 ' HE2' ' HB3' ' A' ' 24' ' ' ARG . 1.8 m-30 -38.72 -56.96 1.26 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.114 2.166 . . . . 0.0 113.342 174.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -20.43 61.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -173.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -68.58 -42.23 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.932 0.787 . . . . 0.0 110.188 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.55 -34.47 75.62 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.877 0.762 . . . . 0.0 112.569 172.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.79 -52.84 47.44 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.804 1.184 . . . . 0.0 111.902 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.79 -49.61 65.25 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.881 0.764 . . . . 0.0 112.846 176.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -71.21 6.38 1.71 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.775 1.63 . . . . 0.0 114.99 177.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 17' ' ' LEU . 87.4 mt -116.0 -40.62 3.28 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.588 1.155 . . . . 0.0 112.271 163.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.08 -46.46 42.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.919 0.888 . . . . 0.0 112.636 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.47 -29.48 62.55 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.002 -1.061 . . . . 0.0 112.028 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -41.95 86.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.402 -0.811 . . . . 0.0 111.816 170.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.5 76.76 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.7 -38.84 64.65 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.834 -1.167 . . . . 0.0 113.754 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.96 -38.68 73.31 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.6 HD12 ' CD1' ' A' ' 10' ' ' LEU . 60.8 mt -78.29 -41.92 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 110.569 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' TYR . . . . . 0.926 ' CE1' HD22 ' A' ' 7' ' ' LEU . 21.4 m-85 -62.8 -30.32 71.38 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.501 1.121 . . . . 0.0 113.119 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.92 -27.77 28.33 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -88.26 -61.41 1.72 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.974 0.892 . . . . 0.0 111.705 -174.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 62.11 2.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.622 1.969 . . . . 0.0 111.297 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -133.63 -46.29 0.81 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.597 1.559 . . . . 0.0 111.175 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.9 -38.09 81.29 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -82.67 -36.31 26.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 174.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.658 HG11 ' CZ ' ' A' ' 3' ' ' TYR . 55.5 t -75.85 -45.09 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.929 0.892 . . . . 0.0 112.341 -173.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.43 -5.74 14.27 Favored Glycine 0 CA--C 1.541 1.699 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 168.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -66.25 138.98 96.18 Favored Pre-proline 0 CA--C 1.551 0.992 0 CA-C-N 120.111 1.956 . . . . 0.0 113.063 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.8 -29.92 9.95 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.196 2.597 . . . . 0.0 113.893 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.888 ' CG1' HD11 ' A' ' 47' ' ' ILE . 8.6 p -69.26 -23.31 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.129 -0.982 . . . . 0.0 112.964 178.192 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.41 -39.21 72.65 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.962 1.305 . . . . 0.0 111.743 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.83 92.64 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.797 -0.564 . . . . 0.0 112.465 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.56 -42.09 92.21 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.345 -0.847 . . . . 0.0 112.13 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.87 -57.06 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.418 1.087 . . . . 0.0 110.797 171.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.41 -28.29 68.51 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.65 -37.42 86.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.869 1.267 . . . . 0.0 112.474 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASP . . . . . 0.643 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 89.8 m-20 -69.96 -44.48 69.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.553 -0.717 . . . . 0.0 111.667 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.11 -20.71 66.16 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.49 -52.85 34.29 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.766 1.166 . . . . 0.0 111.914 168.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -56.23 -40.59 74.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.341 -0.85 . . . . 0.0 111.471 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.712 ' CE1' HG23 ' A' ' 33' ' ' ILE . 30.1 m170 -59.76 -20.78 58.76 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -98.82 -32.16 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.343 1.457 . . . . 0.0 110.676 -176.754 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.99 -45.87 80.06 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.62 -0.675 . . . . 0.0 110.574 168.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' TRP . . . . . 0.614 ' HE3' HD11 ' A' ' 33' ' ' ILE . 37.6 m0 -62.24 -31.82 72.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.628 0.771 . . . . 0.0 112.447 170.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.1 tt -61.19 -55.57 30.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.942 0.897 . . . . 0.0 112.475 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.15 -42.57 95.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.755 0.822 . . . . 0.0 111.121 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.9 m -58.63 -29.92 66.88 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.546 1.138 . . . . 0.0 113.081 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 27' ' ' ASP . 1.2 tp -64.25 -11.82 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -140.3 6.92 2.15 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.064 1.746 . . . . 0.0 113.934 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.257 0 C-N-CA 125.61 1.576 . . . . 0.0 113.216 -178.702 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.081 0.467 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.45 47.64 0.72 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.052 1.741 . . . . 0.0 113.143 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 1.314 ' OH ' ' CB ' ' B' ' 24' ' ' ARG . 0.0 OUTLIER -142.49 -50.01 0.36 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.341 1.456 . . . . 0.0 111.377 -179.634 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.61 -21.26 14.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -61.12 -37.84 84.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.344 1.429 . . . . 0.0 112.118 172.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.29 -27.15 68.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.55 1.54 . . . . 0.0 113.615 172.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.8 mt -81.12 -45.97 15.64 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.689 0.796 . . . . 0.0 111.047 174.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.71 -50.11 66.61 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.72 1.208 . . . . 0.0 112.191 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -76.68 11.25 1.75 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.996 HD13 ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -103.23 -47.07 4.43 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.445 1.898 . . . . 0.0 108.999 161.478 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.73 -40.28 49.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.623 0.647 . . . . 0.0 110.65 -165.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.15 -39.25 86.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 112.198 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.97 -45.04 83.14 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.194 0.998 . . . . 0.0 113.0 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.44 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.514 0.726 . . . . 0.0 110.971 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.9 tpp -55.41 -47.74 75.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.352 1.061 . . . . 0.0 113.14 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.92 -37.35 14.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.815 1.246 . . . . 0.0 113.634 173.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -91.19 -48.29 7.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 111.167 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 1.035 ' CE1' HD22 ' B' ' 7' ' ' LEU . 10.0 m-85 -56.69 -42.45 79.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.325 1.05 . . . . 0.0 111.222 177.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -35.91 81.34 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.716 -0.615 . . . . 0.0 111.537 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 1.174 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 4.7 tp10 -69.69 -47.85 61.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.194 0.452 . . . . 0.0 110.38 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 1.557 ' HB2' ' CE2' ' B' ' 3' ' ' TYR . . . -59.52 -36.91 77.03 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.667 0.787 . . . . 0.0 112.386 175.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -59.12 -47.8 83.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.752 -1.217 . . . . 0.0 111.58 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.05 -1.41 12.1 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -21.43 7.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.052 1.741 . . . . 0.0 113.92 177.665 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -132.14 -31.03 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.022 1.329 . . . . 0.0 112.868 -170.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.6 16.7 77.72 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.745 1.458 . . . . 0.0 116.745 170.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.19 131.44 93.55 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 119.408 1.604 . . . . 0.0 112.517 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.09 -31.78 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.591 2.194 . . . . 0.0 113.121 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.74 -30.13 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.318 -0.864 . . . . 0.0 112.087 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -44.52 80.99 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.794 171.253 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.58 80.77 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.271 -0.893 . . . . 0.0 112.89 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -62.37 -40.09 95.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.216 1.006 . . . . 0.0 112.524 172.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.93 -40.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.381 1.072 . . . . 0.0 111.97 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.99 -40.63 94.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.113 0.869 . . . . 0.0 113.331 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.07 -36.56 79.96 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.19 1.396 . . . . 0.0 112.257 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.69 -53.13 24.08 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.725 0.81 . . . . 0.0 112.361 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.75 -27.5 68.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.098 0.863 . . . . 0.0 112.733 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.26 -51.15 67.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.671 1.188 . . . . 0.0 112.124 174.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.76 -41.05 83.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.441 1.896 . . . . 0.0 113.578 173.17 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.1 -35.08 70.92 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.557 1.143 . . . . 0.0 114.08 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 7.2 tt -82.46 -21.62 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 127.045 2.138 . . . . 0.0 111.442 -173.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.98 -49.54 44.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.514 -0.741 . . . . 0.0 109.828 163.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -58.29 -33.22 69.22 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 3.8 tt -56.6 -55.77 29.79 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.603 1.161 . . . . 0.0 113.096 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.57 -40.13 96.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.886 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -56.74 -22.43 35.44 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.604 1.161 . . . . 0.0 113.596 173.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.608 HD13 HG13 ' B' ' 29' ' ' VAL . 1.1 tp -68.32 -4.17 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 173.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.03 -11.18 0.98 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 173.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.824 0 C-N-CA 126.039 1.781 . . . . 0.0 114.519 174.232 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.441 ' HG2' ' H ' ' B' ' 2' ' ' ASP 0.254 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 118.876 -0.583 . . . . 0.0 111.565 . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.441 ' H ' ' HG2' ' B' ' 1' ' ' MET . 3.4 m-20 -140.46 91.45 2.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.133 1.373 . . . . 0.0 110.069 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 1.557 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 12.6 t80 -148.25 -56.13 0.22 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.316 1.046 . . . . 0.0 111.314 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' B' ' 7' ' ' LEU . 2.8 pp -60.97 -22.65 64.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.065 1.746 . . . . 0.0 114.305 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -64.55 -41.97 95.98 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.791 -1.193 . . . . 0.0 112.335 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.47 -35.58 80.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.004 0.82 . . . . 0.0 112.012 172.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 1.035 HD22 ' CE1' ' A' ' 18' ' ' TYR . 73.7 mt -61.64 -51.2 69.44 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.342 0.657 . . . . 0.0 111.749 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.51 -52.49 54.3 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.078 0.854 . . . . 0.0 112.957 172.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -68.08 4.43 1.23 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.1 mt -107.71 -54.43 2.49 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.102 1.361 . . . . 0.0 111.483 161.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.679 ' HG3' ' OH ' ' A' ' 18' ' ' TYR . 4.4 mm-40 -66.92 -34.45 77.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.534 1.133 . . . . 0.0 112.233 -170.16 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.35 -34.72 31.61 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.958 -1.089 . . . . 0.0 113.463 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -55.08 -45.25 75.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.714 0.806 . . . . 0.0 110.313 167.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ALA . . . . . 0.996 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -61.99 -48.49 80.12 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.234 1.014 . . . . 0.0 112.766 170.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 40.1 tpp -55.09 -41.03 71.08 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.886 1.221 . . . . 0.0 113.303 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.94 -34.11 76.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -81.61 -31.11 32.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 125.188 1.395 . . . . 0.0 112.216 176.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -65.95 -40.22 91.12 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 117.432 -1.27 . . . . 0.0 111.098 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.04 -22.62 64.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.905 1.684 . . . . 0.0 114.676 166.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.12 -63.82 1.33 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.441 1.096 . . . . 0.0 113.138 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -23.08 67.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -52.93 -42.72 65.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 112.737 170.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.19 -8.09 28.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.419 1.487 . . . . 0.0 114.451 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ARG . . . . . 1.314 ' CB ' ' OH ' ' A' ' 3' ' ' TYR . 2.2 mmm180 -125.35 -18.14 5.42 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.835 1.654 . . . . 0.0 114.255 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 1.097 HG23 ' CE2' ' A' ' 3' ' ' TYR . 67.2 t -110.22 -39.88 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.169 1.388 . . . . 0.0 112.071 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.14 2.46 18.78 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.628 1.811 . . . . 0.0 117.628 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASP . . . . . 0.451 ' HB3' HD11 ' A' ' 47' ' ' ILE . 5.2 m-20 -66.4 143.69 98.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 CA-C-N 119.886 1.843 . . . . 0.0 112.86 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.08 -34.03 10.88 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.578 2.185 . . . . 0.0 113.274 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' VAL . . . . . 0.608 HG13 HD13 ' A' ' 47' ' ' ILE . 9.1 p -71.69 -26.26 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.181 -0.949 . . . . 0.0 112.844 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.75 -46.8 74.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.687 1.195 . . . . 0.0 110.542 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.83 77.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.569 0.748 . . . . 0.0 112.945 171.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -68.68 -28.4 66.83 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.075 -1.016 . . . . 0.0 113.499 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 61.6 mt -67.3 -55.74 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.459 173.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.4 -14.37 18.54 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.138 1.79 . . . . 0.0 114.986 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -75.89 -40.7 53.93 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.197 1.399 . . . . 0.0 113.603 167.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -76.96 -46.21 24.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.353 1.461 . . . . 0.0 112.01 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.02 -6.11 15.71 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 128.857 2.863 . . . . 0.0 112.347 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.27 -54.08 29.19 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.488 1.515 . . . . 0.0 111.673 164.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.22 -29.96 70.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.841 0.856 . . . . 0.0 111.783 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.16 -2.36 0.43 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.841 2.456 . . . . 0.0 116.299 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tp -116.52 -30.54 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 120.268 1.395 . . . . 0.0 112.045 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -73.74 -45.54 51.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 174.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.95 -27.77 69.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.772 0.829 . . . . 0.0 112.334 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -56.05 20.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.05 1.34 . . . . 0.0 111.902 172.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.56 -34.7 69.46 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.402 1.081 . . . . 0.0 112.068 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.8 m -65.42 -30.46 71.27 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 173.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.98 -4.78 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.36 -17.1 41.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.13 1.772 . . . . 0.0 115.306 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 C-N-CA 125.265 1.412 . . . . 0.0 113.291 178.493 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.788 ' SD ' HG22 ' B' ' 25' ' ' VAL . 21.8 ttm . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -145.28 -42.79 0.22 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -53.04 -41.84 65.17 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.504 1.502 . . . . 0.0 112.795 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -23.97 2.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.431 2.292 . . . . 0.0 114.431 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -84.2 -36.24 22.93 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 -166.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.309 0.644 . . . . 0.0 111.532 160.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.74 -51.8 66.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.367 0.985 . . . . 0.0 111.542 177.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -55.43 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.46 1.504 . . . . 0.0 113.375 166.424 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.84 -1.42 5.48 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.22 -40.6 5.13 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.624 1.57 . . . . 0.0 111.796 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.29 -42.49 62.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.426 1.09 . . . . 0.0 112.087 -175.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.92 -36.34 80.0 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.372 -0.83 . . . . 0.0 111.874 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -44.31 97.28 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.71 -0.619 . . . . 0.0 111.964 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.514 0.726 . . . . 0.0 112.189 171.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -57.4 -45.19 84.79 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.258 -0.901 . . . . 0.0 113.216 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -51.49 -43.48 62.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.697 0.799 . . . . 0.0 112.398 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.93 -40.25 47.83 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.579 1.151 . . . . 0.0 112.086 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.76 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.648 -0.692 . . . . 0.0 111.072 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -67.25 -31.07 71.17 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.813 1.188 . . . . 0.0 113.642 174.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 1.2 tp10 -70.11 -48.29 58.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.131 0.878 . . . . 0.0 111.284 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB2' ' CE2' ' B' ' 3' ' ' TYR . . . -68.04 -26.14 65.72 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 t -63.77 -44.94 91.92 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.079 -1.013 . . . . 0.0 112.271 167.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.59 -38.45 91.15 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.616 -0.678 . . . . 0.0 112.023 172.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -66.81 -40.18 87.97 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.456 1.102 . . . . 0.0 113.592 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.3 t -140.74 -55.82 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.514 1.125 . . . . 0.0 111.929 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.58 -67.04 0.52 Allowed Glycine 0 N--CA 1.468 0.824 0 C-N-CA 125.199 1.381 . . . . 0.0 111.8 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 47.44 131.37 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 129.598 3.159 . . . . 0.0 116.436 -168.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.43 -40.31 4.39 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.717 1.611 . . . . 0.0 114.681 -163.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 p -77.91 -25.2 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.676 -0.64 . . . . 0.0 112.143 174.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.68 -44.08 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.679 1.192 . . . . 0.0 111.219 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.63 65.46 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.81 -31.54 40.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.942 1.297 . . . . 0.0 113.139 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' B' ' 40' ' ' HIS . 49.0 mt -63.29 -37.1 78.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 121.391 -0.818 . . . . 0.0 111.693 174.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.82 -42.1 71.45 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.273 0.942 . . . . 0.0 112.548 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.82 -40.29 91.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.134 1.374 . . . . 0.0 112.309 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -66.95 -47.11 72.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.577 0.751 . . . . 0.0 112.68 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.639 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 40.5 mm-40 -67.11 -18.69 65.43 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.282 -0.886 . . . . 0.0 112.747 176.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.53 -49.9 73.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.553 1.524 . . . . 0.0 111.696 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -57.59 -38.21 74.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.592 0.757 . . . . 0.0 111.396 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' HG23 ' B' ' 33' ' ' ILE . 28.6 m170 -63.23 -21.0 65.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -90.9 -40.49 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.758 1.623 . . . . 0.0 110.047 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -59.45 -45.83 90.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.614 0.766 . . . . 0.0 111.015 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.472 ' HE3' HD11 ' B' ' 33' ' ' ILE . 43.4 m0 -62.69 -34.46 77.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.455 0.702 . . . . 0.0 112.415 170.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -49.93 71.93 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.235 1.379 . . . . 0.0 114.494 -176.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.77 -40.14 79.07 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.448 1.099 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.9 m -63.58 -1.98 1.47 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 127.032 2.133 . . . . 0.0 114.406 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mm -106.91 -4.94 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.604 1.561 . . . . 0.0 112.6 -175.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -61.44 -22.89 65.43 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.569 1.147 . . . . 0.0 114.063 173.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 C-N-CA 126.474 1.988 . . . . 0.0 112.835 173.336 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.62 147.49 33.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.927 1.291 . . . . 0.0 110.286 -169.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' TYR . . . . . 0.677 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 55.6 t80 -148.4 -62.04 0.25 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.627 0.771 . . . . 0.0 111.531 170.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.457 ' H ' HD12 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -60.22 -21.66 62.07 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.385 1.874 . . . . 0.0 113.597 -175.266 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.18 -39.17 81.7 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 126.902 2.081 . . . . 0.0 113.315 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.64 -41.01 84.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.788 0.722 . . . . 0.0 111.348 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.09 -41.18 99.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.765 0.712 . . . . 0.0 112.415 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -56.01 -54.15 48.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.457 0.703 . . . . 0.0 111.103 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -72.72 15.25 0.2 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.315 1.846 . . . . 0.0 114.75 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -119.94 -40.99 2.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.379 1.871 . . . . 0.0 110.812 165.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.472 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 4.0 mm-40 -76.43 -43.82 38.54 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.383 1.073 . . . . 0.0 111.799 -178.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -71.22 -33.97 70.39 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.196 -0.94 . . . . 0.0 112.348 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.36 -46.56 89.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.452 0.701 . . . . 0.0 111.38 170.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.32 93.68 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.438 0.695 . . . . 0.0 112.203 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.86 -45.8 64.21 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.147 1.34 . . . . 0.0 112.757 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -56.24 -28.71 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.423 1.489 . . . . 0.0 113.55 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -100.27 -33.35 10.45 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 126.45 1.9 . . . . 0.0 112.1 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.02 -43.65 95.11 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.088 0.955 . . . . 0.0 110.247 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 172.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -67.86 -46.76 70.8 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.278 1.031 . . . . 0.0 111.778 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.98 84.73 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.716 1.206 . . . . 0.0 111.383 171.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -56.2 -43.32 78.39 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.168 -0.957 . . . . 0.0 112.347 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.35 2.91 0.75 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.415 1.886 . . . . 0.0 114.993 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.79 -39.61 1.1 Allowed 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.66 -1.275 . . . . 0.0 113.387 172.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . 0.788 HG22 ' SD ' ' A' ' 1' ' ' MET . 61.0 t -79.53 -36.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.0 1.32 . . . . 0.0 111.898 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.67 4.23 57.2 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 134.85 96.02 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.38 1.59 . . . . 0.0 112.04 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.61 -36.98 17.8 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.406 2.071 . . . . 0.0 112.454 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.95 -30.63 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.371 -0.831 . . . . 0.0 112.507 175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -39.31 86.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.279 1.031 . . . . 0.0 111.323 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.77 79.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.15 -33.68 76.34 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.168 -0.958 . . . . 0.0 113.358 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.636 HG23 ' CE1' ' A' ' 40' ' ' HIS . 57.4 mt -57.35 -32.52 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 118.378 0.535 . . . . 0.0 111.832 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.63 -34.75 71.52 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.821 -1.174 . . . . 0.0 114.064 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -44.17 85.69 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.419 1.008 . . . . 0.0 111.989 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.13 -51.8 59.09 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.732 -0.605 . . . . 0.0 111.159 176.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLU . . . . . 0.603 ' OE2' 'ZN ' ' A' ' 50' ' ' ' ZN' . 30.5 mm-40 -67.83 -17.9 64.66 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.77 -54.87 11.64 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.258 1.023 . . . . 0.0 111.569 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.6 -37.47 75.91 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.821 -0.549 . . . . 0.0 111.487 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 33' ' ' ILE . 23.5 m170 -62.32 -3.62 1.44 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -114.28 -34.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 120.874 1.67 . . . . 0.0 110.947 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.48 -51.21 61.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.496 0.589 . . . . 0.0 110.689 165.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -66.75 -34.79 78.62 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.37 -34.12 76.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.964 1.306 . . . . 0.0 113.183 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.22 -37.17 23.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.381 0.992 . . . . 0.0 112.385 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -57.63 -36.3 71.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.14 0.976 . . . . 0.0 112.363 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 tp -73.53 -4.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -61.71 -28.09 69.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.754 1.622 . . . . 0.0 113.912 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.272 0 C-N-CA 126.1 1.809 . . . . 0.0 113.131 -175.399 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . 0.603 'ZN ' ' OE2' ' B' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 150' ' ' ' ZN' . . . . . 0.639 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.472 0.659 0 CA-C-O 120.491 0.186 . . . . 0.0 111.416 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -78.64 -21.22 48.71 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.336 1.854 . . . . 0.0 114.218 -171.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.47 -36.7 74.12 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.305 1.042 . . . . 0.0 112.975 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.43 -27.15 66.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 113.363 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -80.5 -44.54 18.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.85 0.86 . . . . 0.0 111.629 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.07 -50.91 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.743 1.617 . . . . 0.0 111.379 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -71.87 4.79 3.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.54 -41.48 4.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.631 1.173 . . . . 0.0 111.824 164.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.18 -46.76 76.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.327 0.967 . . . . 0.0 111.556 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.19 -29.51 64.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.113 -0.992 . . . . 0.0 112.838 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -42.06 86.54 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.255 -0.903 . . . . 0.0 111.963 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.93 96.98 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 122.971 0.508 . . . . 0.0 111.251 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ttm -54.19 -44.99 72.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.638 0.775 . . . . 0.0 112.613 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -49.67 -33.59 16.15 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.416 2.287 . . . . 0.0 113.577 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.43 -39.62 9.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 126.703 2.001 . . . . 0.0 111.51 -175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.49 -33.2 71.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.67 0.788 . . . . 0.0 112.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -20.61 48.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.751 1.22 . . . . 0.0 113.992 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -87.55 -51.47 5.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 110.858 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -23.04 67.05 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.075 1.35 . . . . 0.0 114.599 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -55.41 -49.81 71.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.46 -32.51 74.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -43.51 55.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.752 1.221 . . . . 0.0 111.716 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.3 -38.73 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.643 0.777 . . . . 0.0 111.903 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.95 21.37 71.31 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.722 1.153 . . . . 0.0 115.864 172.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 135.23 20.73 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.074 1.437 . . . . 0.0 112.237 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.8 -30.01 18.1 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.94 2.427 . . . . 0.0 112.989 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.41 -30.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.409 -0.807 . . . . 0.0 112.197 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.46 -42.76 99.27 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.465 1.106 . . . . 0.0 111.473 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.23 77.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -64.63 -34.02 77.3 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.099 -1.001 . . . . 0.0 112.451 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.76 -47.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 O-C-N 121.651 -0.656 . . . . 0.0 112.542 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.01 -26.97 68.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.799 0.727 . . . . 0.0 112.894 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -44.46 84.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.144 171.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.19 -36.66 77.54 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.996 0.918 . . . . 0.0 112.463 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -67.55 -12.01 59.37 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.22 -41.46 81.24 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.201 1.819 . . . . 0.0 112.617 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.99 -37.57 74.51 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 121.663 -0.648 . . . . 0.0 111.177 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -71.68 1.05 7.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.115 1.766 . . . . 0.0 115.385 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.9 mm -115.31 -39.25 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 125.988 1.715 . . . . 0.0 109.038 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.47 -57.35 13.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.95 0.796 . . . . 0.0 111.744 170.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -64.11 -39.25 93.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.572 0.749 . . . . 0.0 111.722 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.7 tp -66.21 -29.88 70.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.386 1.474 . . . . 0.0 112.759 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -73.72 -51.85 15.18 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.1 0.863 . . . . 0.0 111.846 167.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.5 m -57.36 -43.09 83.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.632 0.773 . . . . 0.0 112.713 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.07 -9.23 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 C-N-CA 123.835 0.854 . . . . 0.0 113.064 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.4 t30 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 125.268 1.427 . . . . 0.0 114.229 175.061 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 121.206 0.527 . . . . 0.0 112.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.26 -27.63 69.15 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 124.952 1.301 . . . . 0.0 113.772 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -66.63 -42.45 86.74 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.043 1.292 . . . . 0.0 111.822 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.13 -35.55 81.14 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.964 1.256 . . . . 0.0 112.443 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.67 -51.91 55.73 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.022 0.828 . . . . 0.0 111.597 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.11 -50.07 65.2 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.46 1.104 . . . . 0.0 111.627 174.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.82 2.54 5.29 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.8 mt -114.15 -39.55 3.88 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.452 1.101 . . . . 0.0 112.738 164.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.81 -43.92 64.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.428 1.013 . . . . 0.0 111.738 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.74 -35.25 78.39 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.124 0.874 . . . . 0.0 112.417 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -44.77 95.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.765 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.71 80.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.237 0.615 . . . . 0.0 111.993 172.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.5 tpp -53.96 -46.15 71.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.051 1.34 . . . . 0.0 113.058 176.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -51.91 -42.97 63.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.624 0.647 . . . . 0.0 112.618 174.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.84 -42.0 41.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.79 -43.78 90.55 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.371 0.419 . . . . 0.0 112.103 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.97 -32.72 72.5 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.15 -54.04 12.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.83 0.824 . . . . 0.0 112.214 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.18 66.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -171.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.9 t -52.08 -48.88 64.48 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -171.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.96 -10.94 54.71 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -116.76 -28.48 6.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.059 1.344 . . . . 0.0 112.977 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -77.6 -40.58 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.657 1.183 . . . . 0.0 111.166 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.57 35.95 75.67 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 115.621 1.009 . . . . 0.0 115.621 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -121.61 142.47 35.85 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.627 1.213 . . . . 0.0 112.042 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.76 -27.54 14.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.835 2.357 . . . . 0.0 114.023 -173.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.275 2.8 p -69.52 -21.21 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.624 1.102 . . . . 0.0 112.932 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.8 -41.99 96.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.51 -1.369 . . . . 0.0 112.529 167.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.22 89.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.674 0.67 . . . . 0.0 111.9 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.39 -38.15 79.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.166 0.987 . . . . 0.0 112.91 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -63.35 -32.73 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.72 0.808 . . . . 0.0 112.72 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.55 -41.04 96.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.403 1.001 . . . . 0.0 111.81 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.36 -38.7 91.95 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.7 1.2 . . . . 0.0 112.552 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.32 -50.34 70.41 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.809 -0.557 . . . . 0.0 112.095 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.6 -24.54 64.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.86 -43.38 90.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.411 1.46 . . . . 0.0 112.406 171.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -62.19 -37.94 87.2 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.453 -0.779 . . . . 0.0 111.282 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -69.41 -6.89 33.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -103.21 -37.49 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.912 1.685 . . . . 0.0 109.282 171.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.16 -47.41 79.98 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.12 -0.988 . . . . 0.0 111.845 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -66.97 -27.22 67.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.908 1.283 . . . . 0.0 112.948 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -54.74 43.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.325 1.05 . . . . 0.0 112.088 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.65 -27.51 66.07 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.865 0.866 . . . . 0.0 112.562 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.9 m -63.27 -30.59 71.7 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.49 -0.756 . . . . 0.0 112.278 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -5.21 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 . . . . . 0 CA--C 1.547 0.85 0 C-N-CA 125.628 1.571 . . . . 0.0 114.46 172.024 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 1.515 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 1.6 t80 . . . . . 0 N--CA 1.473 0.724 0 CA-C-O 120.867 0.365 . . . . 0.0 110.08 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.6 -14.86 59.12 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -160.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -66.42 -31.26 71.9 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.606 1.093 . . . . 0.0 112.687 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -63.46 -40.32 96.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.206 1.003 . . . . 0.0 112.532 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.803 HD23 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -65.95 -47.09 75.81 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.829 1.251 . . . . 0.0 111.641 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -51.9 50.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.369 1.068 . . . . 0.0 112.924 168.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 4.35 3.12 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.741 HD13 ' HA ' ' B' ' 14' ' ' ALA . 73.8 mt -109.03 -42.5 4.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.32 1.448 . . . . 0.0 111.51 166.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.735 ' HG3' ' OH ' ' B' ' 18' ' ' TYR . 6.9 mm-40 -67.79 -46.73 71.13 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.801 0.841 . . . . 0.0 112.262 -176.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -71.98 -31.69 66.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.351 -0.843 . . . . 0.0 112.349 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.75 -43.52 97.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.566 0.747 . . . . 0.0 111.658 170.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.83 86.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.305 0.642 . . . . 0.0 111.705 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 mtp -55.33 -42.95 74.48 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -53.97 -38.41 64.98 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' B' ' 10' ' ' LEU . 67.3 mt -85.21 -40.11 17.04 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.738 1.215 . . . . 0.0 111.274 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -61.68 -40.23 94.24 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.687 0.795 . . . . 0.0 111.698 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -32.27 66.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.224 0.92 . . . . 0.0 112.732 176.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.26 -52.28 59.47 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.831 0.741 . . . . 0.0 110.2 173.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.79 82.92 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.571 1.149 . . . . 0.0 112.445 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -60.25 -47.92 83.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.43 -0.794 . . . . 0.0 112.224 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -40.38 93.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.592 0.757 . . . . 0.0 112.444 175.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -73.35 -32.16 64.37 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.242 1.417 . . . . 0.0 114.144 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -112.98 -34.21 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.172 0.989 . . . . 0.0 112.902 -167.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.36 2.16 78.37 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.72 1.448 . . . . 0.0 116.72 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 140.82 97.98 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.575 1.688 . . . . 0.0 112.267 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.99 -36.84 9.47 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.622 2.214 . . . . 0.0 113.33 -173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 -27.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 121.149 -0.97 . . . . 0.0 112.768 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.03 -37.29 86.89 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.328 -0.857 . . . . 0.0 112.039 170.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.18 65.83 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.37 -36.86 83.59 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.035 -1.041 . . . . 0.0 112.822 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.4 mt -57.81 -41.6 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.323 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.38 -40.38 96.27 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.46 1.027 . . . . 0.0 112.972 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.55 -40.7 97.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.215 1.006 . . . . 0.0 112.521 174.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.32 -52.07 25.43 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.088 0.955 . . . . 0.0 112.865 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -64.11 -26.43 68.54 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.469 -0.769 . . . . 0.0 112.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.42 -40.05 93.0 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.785 -1.197 . . . . 0.0 113.134 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -66.0 -39.87 90.65 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.589 1.086 . . . . 0.0 111.414 171.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -60.28 -36.83 78.74 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.408 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 35.8 mm -75.54 -40.06 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 127.292 2.237 . . . . 0.0 110.347 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.3 -44.56 97.02 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.461 -0.775 . . . . 0.0 110.345 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CG ' HG21 ' B' ' 29' ' ' VAL . 39.8 m0 -64.28 -35.54 81.18 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.902 0.881 . . . . 0.0 112.672 169.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.5 tt -57.05 -49.89 74.44 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.369 1.068 . . . . 0.0 111.794 176.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.41 -37.95 68.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.492 1.117 . . . . 0.0 112.622 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.9 m -58.41 -40.49 82.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.74 HD11 ' HB3' ' B' ' 27' ' ' ASP . 9.4 mm -59.51 -7.96 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.198 1.799 . . . . 0.0 114.717 171.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 . . . . . 0 CA--C 1.549 0.939 0 C-N-CA 126.598 1.959 . . . . 0.0 114.023 178.59 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 p90 . . . . . 0 N--CA 1.475 0.782 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 mt -41.23 -50.7 3.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.939 2.896 . . . . 0.0 113.306 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.82 -39.43 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.119 -0.988 . . . . 0.0 113.39 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -71.39 -27.45 63.34 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.38 0.991 . . . . 0.0 112.972 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.7 -51.07 68.65 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 120.137 1.335 . . . . 0.0 110.108 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -48.56 70.44 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.33 1.052 . . . . 0.0 112.057 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -75.96 9.19 2.56 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.681 ' CD1' HD12 ' A' ' 17' ' ' LEU . 81.0 mt -114.98 -41.18 3.38 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.165 0.986 . . . . 0.0 112.192 162.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.72 -49.63 24.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.44 1.018 . . . . 0.0 111.424 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -68.54 -25.87 65.14 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.264 -0.897 . . . . 0.0 113.133 173.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.85 -42.45 63.73 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.402 -0.811 . . . . 0.0 112.516 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.741 ' HA ' HD13 ' A' ' 10' ' ' LEU . . . -65.34 -39.69 92.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 112.063 171.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 30.7 tpp -51.33 -44.77 62.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.011 1.324 . . . . 0.0 113.77 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -54.35 -42.59 70.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.575 0.75 . . . . 0.0 112.224 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.64 HD12 ' CD1' ' A' ' 10' ' ' LEU . 61.4 mt -79.36 -40.7 29.54 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.217 1.407 . . . . 0.0 111.487 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.803 ' CD1' HD23 ' A' ' 7' ' ' LEU . 7.8 m-85 -56.57 -47.68 79.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.435 0.694 . . . . 0.0 110.797 173.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -73.78 -31.04 63.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.76 -50.63 62.1 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.777 0.799 . . . . 0.0 110.962 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 1.515 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -65.77 -37.7 87.05 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.191 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -55.29 -40.42 71.02 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.055 1.298 . . . . 0.0 112.924 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.13 -12.03 35.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.449 1.5 . . . . 0.0 114.32 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -125.73 -34.1 2.66 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.114 1.365 . . . . 0.0 113.825 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 3' ' ' TYR . 99.1 t -79.1 -37.53 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.355 1.462 . . . . 0.0 111.015 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.56 -3.36 55.08 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 116.629 1.412 . . . . 0.0 116.629 171.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.74 ' HB3' HD11 ' A' ' 47' ' ' ILE . 1.7 m-20 -65.76 133.56 95.07 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 119.51 1.655 . . . . 0.0 112.412 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.78 -28.76 24.75 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.837 2.358 . . . . 0.0 113.332 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.579 HG12 HD11 ' A' ' 47' ' ' ILE . 9.4 p -64.69 -32.58 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.291 -0.881 . . . . 0.0 112.302 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.732 HD11 ' OH ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -66.06 -42.33 89.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.11 0.964 . . . . 0.0 111.036 174.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.28 87.07 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.814 170.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.09 -36.26 81.15 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.005 -1.06 . . . . 0.0 112.856 175.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.19 -39.98 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.75 -0.594 . . . . 0.0 112.026 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.251 0.7 OUTLIER -67.02 -24.91 66.06 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.823 1.192 . . . . 0.0 112.649 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.53 -42.81 74.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.588 1.155 . . . . 0.0 113.128 166.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.59 -46.4 79.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.162 0.985 . . . . 0.0 113.12 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.551 ' OE2' ' OE2' ' A' ' 11' ' ' GLU . 31.6 mm-40 -68.25 -13.36 62.2 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.997 -1.064 . . . . 0.0 113.172 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.62 -46.21 73.17 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.867 -1.145 . . . . 0.0 111.598 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -43.32 71.86 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 122.002 -0.436 . . . . 0.0 110.258 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -66.02 -11.95 51.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.91 -30.66 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.386 1.474 . . . . 0.0 110.351 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.82 -50.08 58.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.991 0.916 . . . . 0.0 110.873 169.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -59.04 -31.75 69.13 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.612 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.61 -53.03 63.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 112.076 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -60.45 -41.41 94.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.82 0.848 . . . . 0.0 112.048 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 m -59.56 -41.53 90.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.925 0.89 . . . . 0.0 112.678 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.32 -4.9 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.551 1.019 0 C-N-CA 125.944 1.698 . . . . 0.0 113.779 175.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 p90 . . . . . 0 CA--C 1.543 0.687 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.57 -17.11 30.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.63 1.572 . . . . 0.0 115.232 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -56.51 -38.89 72.42 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.606 -0.684 . . . . 0.0 112.594 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.55 -37.95 83.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 123.941 0.897 . . . . 0.0 110.914 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' B' ' 18' ' ' TYR . 18.9 mt -61.81 -47.61 84.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.59 0.632 . . . . 0.0 111.855 173.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.15 -50.36 64.72 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.173 0.989 . . . . 0.0 112.052 173.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -72.34 7.55 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.028 1.731 . . . . 0.0 114.409 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.6 mt -118.93 -41.01 2.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.703 1.601 . . . . 0.0 112.338 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.13 -47.63 49.7 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.639 1.109 . . . . 0.0 111.847 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.82 -36.08 83.18 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.55 -0.719 . . . . 0.0 111.971 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -62.11 -41.24 98.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.64 1.176 . . . . 0.0 112.59 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.09 77.64 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.701 -0.624 . . . . 0.0 112.077 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mtp -56.08 -38.57 70.86 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.56 -34.99 27.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.985 1.714 . . . . 0.0 113.465 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.8 mt -97.12 -40.49 8.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.454 1.502 . . . . 0.0 111.72 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -55.29 -47.52 75.41 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.056 0.942 . . . . 0.0 110.767 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -66.57 -30.99 71.42 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -73.97 -50.47 19.78 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.963 0.905 . . . . 0.0 111.35 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.96 70.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.89 1.276 . . . . 0.0 113.417 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -50.63 -47.7 58.35 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -82.87 -25.43 32.56 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.494 1.118 . . . . 0.0 113.826 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t -97.95 -42.14 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.175 0.99 . . . . 0.0 112.059 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 13.05 77.85 Favored Glycine 0 CA--C 1.539 1.542 0 N-CA-C 116.748 1.459 . . . . 0.0 116.748 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.81 139.8 33.09 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.506 1.653 . . . . 0.0 112.482 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.84 -29.57 18.54 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.017 2.478 . . . . 0.0 113.623 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.55 -32.1 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.397 -0.814 . . . . 0.0 112.094 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.27 -44.15 95.92 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.219 -0.926 . . . . 0.0 111.519 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.97 95.64 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.597 -0.689 . . . . 0.0 112.518 172.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.44 -33.21 72.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.688 1.195 . . . . 0.0 113.107 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.28 -32.92 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.305 0.642 . . . . 0.0 112.711 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.12 -37.81 81.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.576 1.08 . . . . 0.0 112.193 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.74 -40.12 95.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.235 1.014 . . . . 0.0 112.478 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -66.22 -56.22 12.39 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.391 -0.818 . . . . 0.0 111.454 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.96 -26.76 68.73 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.25 -53.57 56.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.259 0.936 . . . . 0.0 112.4 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -67.0 -34.29 77.43 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.141 -0.974 . . . . 0.0 112.611 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -54.05 -41.21 67.86 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.654 1.116 . . . . 0.0 113.32 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -86.17 -30.0 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 127.179 2.192 . . . . 0.0 110.974 -172.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.97 -47.07 81.86 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.244 -0.91 . . . . 0.0 110.4 165.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CD2' HG21 ' B' ' 29' ' ' VAL . 26.6 m0 -64.1 -33.8 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.646 0.779 . . . . 0.0 112.417 171.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 2.3 tt -58.21 -51.31 70.29 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.725 1.148 . . . . 0.0 112.722 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.92 -43.29 98.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.397 0.679 . . . . 0.0 111.811 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.3 m -57.73 -34.27 69.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.706 0.802 . . . . 0.0 112.365 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.95 -9.81 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.799 1.64 . . . . 0.0 114.579 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.1 t30 . . . . . 0 CA--C 1.549 0.938 0 C-N-CA 125.953 1.701 . . . . 0.0 113.865 174.798 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 35.8 p90 . . . . . 0 N--CA 1.473 0.679 0 CA-C-O 121.037 0.446 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.54 -27.36 67.59 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -64.38 -43.05 95.7 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.993 -1.067 . . . . 0.0 112.052 171.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.43 -35.43 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.936 0.789 . . . . 0.0 111.579 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.04 -51.56 69.1 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.469 1.031 . . . . 0.0 111.214 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.11 -51.7 63.37 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.714 0.688 . . . . 0.0 112.416 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 0.28 4.91 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -108.15 -39.19 5.56 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.585 1.154 . . . . 0.0 112.034 167.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.07 -37.89 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.52 1.055 . . . . 0.0 112.632 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -28.46 57.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.06 0.944 . . . . 0.0 112.997 172.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.63 -49.61 72.59 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.815 -0.553 . . . . 0.0 110.255 168.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.09 46.09 0.13 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.637 1.975 . . . . 0.0 113.21 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 33.2 tpp -149.65 -48.06 0.14 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 112.101 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -53.94 -44.71 70.9 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.876 0.762 . . . . 0.0 112.663 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 -35.85 18.04 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.305 1.042 . . . . 0.0 111.825 176.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.5 -46.42 86.74 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.109 0.964 . . . . 0.0 110.592 -175.121 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -68.73 -28.64 67.0 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 173.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -75.57 -56.16 4.97 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.209 1.004 . . . . 0.0 112.149 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -20.88 66.53 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -50.68 -46.47 58.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.808 1.243 . . . . 0.0 113.922 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.71 -35.31 80.64 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -76.08 -42.05 48.56 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.677 0.791 . . . . 0.0 112.76 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.0 -37.29 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 118.427 0.558 . . . . 0.0 111.904 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.69 -13.85 39.88 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.13 1.348 . . . . 0.0 116.259 167.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.92 127.18 92.47 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.345 1.573 . . . . 0.0 111.522 175.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.67 -31.84 20.15 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.602 2.201 . . . . 0.0 113.425 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 43' ' ' TRP . 8.4 p -60.44 -28.01 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.876 0.871 . . . . 0.0 113.052 176.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.22 -40.18 93.03 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.258 1.023 . . . . 0.0 111.539 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.71 -35.46 78.83 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.93 -30.54 71.14 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.998 0.919 . . . . 0.0 113.28 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.35 -30.76 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.745 -0.597 . . . . 0.0 112.062 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.54 -35.12 78.41 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.07 -1.019 . . . . 0.0 112.113 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.95 -45.94 86.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.964 1.306 . . . . 0.0 111.972 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.46 -52.76 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.619 0.768 . . . . 0.0 111.976 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.29 -28.21 68.52 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.313 -0.867 . . . . 0.0 112.573 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.66 -45.97 84.49 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.044 -1.035 . . . . 0.0 111.846 171.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -45.67 93.33 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 171.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -56.55 -37.49 70.59 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.499 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 15.8 tt -88.44 -26.17 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.261 1.824 . . . . 0.0 111.955 -173.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.86 -45.38 82.32 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.316 -0.865 . . . . 0.0 110.532 162.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -63.66 -32.82 74.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.499 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 3.0 tt -55.7 -55.61 30.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.231 1.012 . . . . 0.0 113.055 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.53 -29.08 70.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.271 1.028 . . . . 0.0 113.469 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -16.19 46.39 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.041 1.737 . . . . 0.0 114.664 177.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.7 mm -92.96 -5.43 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 126.867 2.067 . . . . 0.0 112.783 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 . . . . . 0 CA--C 1.553 1.076 0 C-N-CA 127.101 2.16 . . . . 0.0 114.789 -175.613 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.97 ' CE2' HG21 ' B' ' 25' ' ' VAL . 2.6 t80 . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 110.832 -0.062 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -27.18 67.41 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.511 0.724 . . . . 0.0 112.789 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -58.69 -47.9 82.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.109 0.868 . . . . 0.0 111.012 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.445 ' OE2' ' CD2' ' B' ' 17' ' ' LEU . 0.1 OUTLIER -60.24 -19.28 53.88 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.311 1.444 . . . . 0.0 113.478 173.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.577 HD13 ' CE1' ' B' ' 18' ' ' TYR . 21.9 mt -91.59 -44.85 8.81 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.67 0.788 . . . . 0.0 112.257 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.58 -51.52 62.7 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.46 -1.4 . . . . 0.0 112.365 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -0.96 2.37 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 172.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.189 ' CD1' ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -103.74 -50.13 3.49 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 127.163 2.185 . . . . 0.0 108.517 175.252 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.85 -37.53 26.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.157 0.89 . . . . 0.0 110.808 -166.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.14 -28.42 65.35 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.547 1.139 . . . . 0.0 112.822 169.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.18 -51.5 20.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.216 1.007 . . . . 0.0 110.711 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 1.131 ' HB2' ' CD1' ' B' ' 10' ' ' LEU . . . -68.74 52.03 0.08 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.079 2.951 . . . . 0.0 112.978 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.2 tpp -160.62 -53.1 0.05 Allowed 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 126.348 1.859 . . . . 0.0 108.324 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -56.82 -43.8 81.38 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.057 1.298 . . . . 0.0 112.173 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 -36.06 22.23 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.73 0.812 . . . . 0.0 111.086 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.622 ' CE1' HD13 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -58.9 -50.51 73.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.365 0.416 . . . . 0.0 110.436 177.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.82 63.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 175.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.31 -59.19 2.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.743 1.217 . . . . 0.0 111.267 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 1.532 ' HB3' ' CZ ' ' B' ' 3' ' ' TYR . . . -61.2 -37.46 83.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.044 0.538 . . . . 0.0 112.053 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -53.92 -40.67 66.93 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -59.62 -42.14 92.02 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.197 0.999 . . . . 0.0 112.637 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -74.88 -40.72 60.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.703 1.201 . . . . 0.0 112.35 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 21' ' ' ALA . 79.5 t -65.48 -49.64 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.25 1.42 . . . . 0.0 111.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.52 34.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.594 1.092 . . . . 0.0 114.568 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.8 136.49 20.0 Favored Pre-proline 0 N--CA 1.478 0.937 0 CA-C-N 118.77 1.285 . . . . 0.0 112.22 178.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.86 -40.95 2.36 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.72 2.28 . . . . 0.0 112.001 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -65.32 -31.67 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.365 0.666 . . . . 0.0 112.2 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.757 ' CD1' HG12 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -70.82 -39.99 72.71 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.762 0.825 . . . . 0.0 111.415 176.644 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.35 83.84 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.418 -0.801 . . . . 0.0 111.958 168.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -66.53 -34.07 77.09 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.919 -1.113 . . . . 0.0 113.125 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' B' ' 40' ' ' HIS . 14.7 mt -59.36 -47.41 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.056 -1.028 . . . . 0.0 111.628 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -34.18 72.82 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 118.898 0.772 . . . . 0.0 111.253 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.99 93.85 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.409 -1.432 . . . . 0.0 112.713 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -68.59 -33.45 74.07 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.139 -0.975 . . . . 0.0 112.903 171.656 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -67.77 6.26 0.7 Allowed 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 174.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' HG22 ' A' ' 41' ' ' ILE . 3.6 mm-40 -98.99 -49.92 4.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 128.272 2.629 . . . . 0.0 108.546 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -57.15 -35.07 69.07 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.776 -1.202 . . . . 0.0 111.81 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -60.77 -4.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.017 2.527 . . . . 0.0 117.712 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -121.54 -26.62 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 121.292 1.86 . . . . 0.0 111.507 176.541 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.68 -50.14 33.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.495 1.118 . . . . 0.0 111.119 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.81 -26.86 62.57 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.693 0.797 . . . . 0.0 112.751 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 7' ' ' LEU . 1.4 tt -55.46 -55.93 26.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.269 1.427 . . . . 0.0 112.687 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -39.31 93.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.595 -0.69 . . . . 0.0 111.442 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -59.44 -24.93 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.921 0.888 . . . . 0.0 112.759 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -9.34 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.466 1.506 . . . . 0.0 114.043 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 . . . . . 0 CA--C 1.551 1.002 0 C-N-CA 125.96 1.704 . . . . 0.0 113.483 173.333 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 1.532 ' CZ ' ' HB3' ' A' ' 21' ' ' ALA . 7.3 t80 . . . . . 0 N--CA 1.466 0.344 0 CA-C-O 119.678 -0.201 . . . . 0.0 111.273 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -30.24 71.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.284 0.634 . . . . 0.0 112.508 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -60.93 -50.08 74.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.755 1.222 . . . . 0.0 110.905 174.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -14.6 5.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.851 1.26 . . . . 0.0 114.042 172.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' B' ' 10' ' ' LEU . 23.2 mt -96.88 -46.47 6.22 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.501 ' CD2' HD13 ' B' ' 44' ' ' LEU . 1.0 OUTLIER -50.82 -50.22 56.96 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.536 -1.353 . . . . 0.0 113.071 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 17.23 0.45 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.699 1.6 . . . . 0.0 114.239 173.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 1.131 ' CD1' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -122.34 -44.11 2.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.665 2.386 . . . . 0.0 108.967 173.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -78.42 -50.37 11.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.708 1.203 . . . . 0.0 110.476 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.88 -24.05 64.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.124 0.97 . . . . 0.0 112.541 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -46.47 57.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.601 -1.312 . . . . 0.0 111.787 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 1.189 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . . . -68.4 -33.5 74.34 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 171.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -51.08 -41.01 59.68 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.781 0.832 . . . . 0.0 112.683 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -56.61 -48.38 77.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.924 0.89 . . . . 0.0 112.658 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.445 ' CD2' ' OE2' ' A' ' 6' ' ' GLU . 10.1 mt -67.63 -38.38 83.81 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.023 0.929 . . . . 0.0 110.873 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.577 ' CE1' HD13 ' A' ' 7' ' ' LEU . 6.2 m-85 -62.07 -31.85 72.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.295 1.438 . . . . 0.0 113.824 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -24.85 22.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.311 0.644 . . . . 0.0 112.526 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.16 -60.51 2.34 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.355 1.062 . . . . 0.0 111.441 -176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.91 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -84.77 63.17 7.85 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.21 1.404 . . . . 0.0 111.042 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -124.8 -50.7 1.71 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.741 1.216 . . . . 0.0 111.033 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.85 -32.08 72.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.835 1.254 . . . . 0.0 112.252 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -42.73 69.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.416 1.486 . . . . 0.0 113.203 173.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.97 HG21 ' CE2' ' A' ' 3' ' ' TYR . 41.7 t -75.11 -47.27 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.083 0.953 . . . . 0.0 111.773 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.15 48.67 Favored Glycine 0 CA--C 1.539 1.567 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.3 137.1 19.82 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 118.355 1.078 . . . . 0.0 111.549 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.67 -42.08 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.951 2.434 . . . . 0.0 112.137 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.17 -23.82 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.542 HD11 ' OH ' ' A' ' 3' ' ' TYR . 1.7 tt -59.63 -41.9 91.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.768 -1.208 . . . . 0.0 112.129 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.68 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -78.95 -34.66 44.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.324 1.45 . . . . 0.0 112.821 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.47 -45.73 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.421 1.088 . . . . 0.0 111.216 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -31.57 71.4 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.813 0.445 . . . . 0.0 111.841 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -40.64 70.13 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.638 1.575 . . . . 0.0 112.903 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.57 -34.73 78.93 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.658 -1.276 . . . . 0.0 112.179 170.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -67.21 -7.87 27.19 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 168.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -49.5 17.54 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.097 -1.627 . . . . 0.0 112.255 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -36.04 68.75 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 174.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.576 ' CD2' HG12 ' A' ' 33' ' ' ILE . 17.7 m170 -64.19 -4.3 3.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 128.136 2.574 . . . . 0.0 117.347 175.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.75 -31.19 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 120.043 1.292 . . . . 0.0 111.384 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.23 -50.6 63.22 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.405 -0.809 . . . . 0.0 111.412 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -67.35 -27.42 67.11 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' B' ' 8' ' ' TYR . 0.3 OUTLIER -59.64 -55.4 34.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.585 1.154 . . . . 0.0 112.915 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.81 -39.94 93.51 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.376 -0.827 . . . . 0.0 111.416 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -59.3 -21.61 59.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.248 1.019 . . . . 0.0 113.017 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.757 HG12 ' CD1' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -69.78 -12.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.262 1.425 . . . . 0.0 114.344 175.176 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 37.7 t30 . . . . . 0 N--CA 1.471 0.611 0 C-N-CA 125.489 1.516 . . . . 0.0 112.606 175.7 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 . . . . . 0 CA--C 1.545 0.753 0 N-CA-C 115.191 1.552 . . . . 0.0 115.191 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -54.97 -26.91 39.84 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -159.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -58.88 -38.8 79.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.054 1.297 . . . . 0.0 112.608 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.31 -25.79 64.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.163 0.985 . . . . 0.0 112.802 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' B' ' 17' ' ' LEU . 51.2 mt -76.78 -48.29 19.07 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.948 0.899 . . . . 0.0 110.821 172.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -46.88 76.66 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.831 1.253 . . . . 0.0 112.264 174.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.18 7.68 3.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.408 1.483 . . . . 0.0 114.456 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.2 mt -114.65 -43.62 3.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 161.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.3 -37.27 60.91 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.339 1.427 . . . . 0.0 113.082 -171.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -78.01 -33.22 51.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.566 -1.333 . . . . 0.0 112.41 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.45 -42.01 90.98 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.218 1.007 . . . . 0.0 111.522 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.889 ' CB ' HD21 ' B' ' 10' ' ' LEU . . . -60.18 -50.9 71.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.617 1.167 . . . . 0.0 112.11 169.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttm -54.52 -42.37 70.77 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -54.03 -38.47 65.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.93 -40.64 14.63 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.232 1.413 . . . . 0.0 111.407 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.25 -39.86 80.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.482 1.113 . . . . 0.0 111.523 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -25.85 51.99 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -71.35 -54.11 11.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.172 0.986 . . . . 0.0 110.562 173.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.23 40.48 0.35 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.517 1.927 . . . . 0.0 113.551 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -110.7 -54.12 2.62 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.251 1.021 . . . . 0.0 109.833 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.56 -37.59 84.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.955 . . . . 0.0 112.884 175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.61 -18.41 61.05 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -113.56 -39.08 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 118.969 0.804 . . . . 0.0 112.612 -168.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.37 -8.17 20.09 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 167.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.99 129.74 94.09 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.676 1.738 . . . . 0.0 112.252 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.72 -26.7 19.08 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.767 2.311 . . . . 0.0 113.412 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 ' CE3' ' B' ' 43' ' ' TRP . 9.4 p -66.93 -30.08 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.05 -1.031 . . . . 0.0 112.482 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.29 -40.75 95.31 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.39 171.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.3 79.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.226 -0.921 . . . . 0.0 112.919 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -68.81 -34.05 74.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.168 -0.957 . . . . 0.0 113.503 172.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 ' CD2' ' B' ' 40' ' ' HIS . 47.4 mt -57.39 -41.72 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.656 165.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.74 -40.98 85.4 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.501 1.501 . . . . 0.0 112.949 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.59 -37.69 80.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.986 1.314 . . . . 0.0 113.036 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.34 -50.04 56.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.21 1.004 . . . . 0.0 112.258 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -66.81 -29.65 69.65 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.204 -0.935 . . . . 0.0 111.421 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.82 -48.3 82.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.006 1.275 . . . . 0.0 112.366 169.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.73 -42.81 75.87 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.631 0.772 . . . . 0.0 112.057 171.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' HG23 ' B' ' 33' ' ' ILE . 37.4 m170 -60.03 -34.57 73.56 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 116.869 -1.538 . . . . 0.0 114.485 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 49.9 mm -74.58 -39.79 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.561 1.944 . . . . 0.0 110.661 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.08 -43.66 98.55 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.39 -0.818 . . . . 0.0 110.452 173.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.546 ' HE3' HD11 ' B' ' 33' ' ' ILE . 43.4 m0 -66.85 -33.02 74.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.054 0.941 . . . . 0.0 112.615 170.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.7 tt -58.67 -52.12 67.03 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.495 1.118 . . . . 0.0 112.785 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.2 -41.81 84.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.679 0.792 . . . . 0.0 111.556 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.2 m -62.68 -28.42 69.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.591 1.157 . . . . 0.0 113.453 173.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.41 -9.78 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.2 t30 . . . . . 0 CA--C 1.547 0.86 0 C-N-CA 125.75 1.62 . . . . 0.0 114.057 174.098 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 p90 . . . . . 0 CA--C 1.535 0.399 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -57.67 -34.77 69.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.358 1.463 . . . . 0.0 114.322 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -61.4 -43.62 98.55 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 111.902 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.47 -30.64 71.02 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.077 0.951 . . . . 0.0 112.658 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.91 -47.31 75.19 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.729 1.15 . . . . 0.0 111.757 168.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.09 -49.48 71.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.569 0.748 . . . . 0.0 112.034 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.29 4.45 0.71 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.889 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.49 -46.12 2.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.545 1.938 . . . . 0.0 110.844 172.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.91 -39.2 72.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.767 1.167 . . . . 0.0 111.156 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -29.37 65.24 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.222 -0.923 . . . . 0.0 113.461 169.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.31 -42.56 79.25 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.124 -0.985 . . . . 0.0 111.964 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.11 96.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.469 0.708 . . . . 0.0 111.956 171.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 37.0 tpp -55.54 -39.04 70.07 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.76 -47.33 77.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.996 0.918 . . . . 0.0 112.855 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' ' 7' ' ' LEU . 59.0 mt -69.72 -42.34 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.147 0.979 . . . . 0.0 111.259 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.03 -38.77 83.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.047 0.939 . . . . 0.0 112.191 175.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -78.22 -30.14 48.69 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.553 1.069 . . . . 0.0 112.96 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -45.64 82.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.375 0.989 . . . . 0.0 109.775 174.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.48 -33.65 76.03 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.395 1.078 . . . . 0.0 113.649 171.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t -66.63 -48.34 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.054 -1.029 . . . . 0.0 112.091 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.66 -26.03 68.21 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.775 1.23 . . . . 0.0 113.462 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -31.52 12.16 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.32 -50.97 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.406 1.003 . . . . 0.0 112.743 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.18 93.77 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.228 0.851 . . . . 0.0 115.228 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -52.7 138.45 42.3 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 118.223 1.012 . . . . 0.0 111.807 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.07 -19.86 38.84 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.307 2.005 . . . . 0.0 117.223 -168.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -90.72 -26.31 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 121.187 1.812 . . . . 0.0 111.694 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.85 -43.43 98.86 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.801 -1.187 . . . . 0.0 110.455 168.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -9.58 17.82 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.362 1.865 . . . . 0.0 115.558 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -20.17 10.63 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.686 1.13 . . . . 0.0 113.802 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 40' ' ' HIS . 71.9 mt -63.15 -40.19 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.169 -0.957 . . . . 0.0 110.699 166.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.52 -21.82 65.83 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -80.87 -41.49 23.06 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.078 1.351 . . . . 0.0 112.214 168.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.25 -48.2 82.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.465 1.106 . . . . 0.0 112.534 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -66.83 -19.03 65.66 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.507 -0.745 . . . . 0.0 112.136 179.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -68.19 -44.49 75.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.951 -1.093 . . . . 0.0 111.933 171.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.86 -45.7 89.51 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.091 -0.381 . . . . 0.0 110.397 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.552 ' CD2' HG12 ' A' ' 33' ' ' ILE . 27.0 m170 -58.36 -42.8 87.74 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.436 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 16.2 tt -82.11 -26.88 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.372 1.869 . . . . 0.0 111.999 -174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.17 -49.4 75.98 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.555 -0.715 . . . . 0.0 110.048 163.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.457 ' CE3' HG22 ' A' ' 29' ' ' VAL . 30.3 m0 -64.54 -32.43 74.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.82 0.848 . . . . 0.0 113.254 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 3.4 tt -57.95 -50.28 73.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.528 1.131 . . . . 0.0 112.712 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -58.13 -40.35 81.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.189 0.595 . . . . 0.0 112.006 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.87 -24.2 64.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.614 1.165 . . . . 0.0 113.544 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.82 -11.14 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 120.236 1.38 . . . . 0.0 112.852 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.3 t30 . . . . . 0 CA--C 1.551 0.982 0 C-N-CA 125.233 1.413 . . . . 0.0 113.917 170.201 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.4 t80 . . . . . 0 N--CA 1.473 0.723 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.33 -39.51 83.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.939 1.296 . . . . 0.0 113.067 -176.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -54.36 -40.96 68.61 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -32.57 74.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.75 0.705 . . . . 0.0 112.835 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.4 mt -67.98 -48.74 64.95 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.519 0.728 . . . . 0.0 110.828 172.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -49.86 48.21 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.564 1.146 . . . . 0.0 112.599 170.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -58.38 -15.19 9.63 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.325 1.85 . . . . 0.0 115.709 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -106.13 -41.38 5.37 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.408 1.883 . . . . 0.0 110.943 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.92 -35.57 64.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.118 0.967 . . . . 0.0 112.242 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.12 -28.87 62.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.391 0.996 . . . . 0.0 112.994 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -52.25 60.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.825 0.85 . . . . 0.0 110.404 168.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.34 40.22 0.05 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 127.119 2.168 . . . . 0.0 113.676 168.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.7 tpp -139.32 -52.08 0.54 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.497 1.519 . . . . 0.0 111.899 173.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.94 -33.7 67.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.441 0.696 . . . . 0.0 112.724 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -80.57 -36.52 32.83 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 127.759 2.423 . . . . 0.0 113.373 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.68 -38.87 64.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.11 -168.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -35.01 77.45 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 162.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.55 -53.53 27.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.621 1.101 . . . . 0.0 112.371 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.71 84.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.998 0.919 . . . . 0.0 112.738 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t -58.48 -46.26 86.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.259 0.624 . . . . 0.0 112.605 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.97 -27.83 69.67 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -79.82 -50.21 10.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.121 0.968 . . . . 0.0 111.487 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.18 -37.17 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.301 1.04 . . . . 0.0 112.427 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.73 29.79 64.88 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 123.996 0.808 . . . . 0.0 115.111 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.11 133.63 20.45 Favored Pre-proline 0 N--CA 1.474 0.749 0 CA-C-N 118.557 1.179 . . . . 0.0 111.419 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -67.56 -37.18 17.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.357 2.038 . . . . 0.0 112.876 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.38 -28.1 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.133 1.333 . . . . 0.0 113.133 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -42.39 92.22 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.07 -1.019 . . . . 0.0 111.095 170.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -12.79 55.86 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -29.24 14.86 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.999 1.272 . . . . 0.0 113.201 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.526 HG23 ' CG ' ' B' ' 40' ' ' HIS . 60.8 mt -58.4 -46.84 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 111.706 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.2 -31.56 72.81 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.02 79.41 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.665 1.186 . . . . 0.0 113.046 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -76.09 -36.53 58.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.222 1.009 . . . . 0.0 112.848 175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.68 -23.99 67.4 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.006 -1.059 . . . . 0.0 112.473 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.91 -48.24 81.34 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.641 -1.287 . . . . 0.0 112.095 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -45.55 86.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.094 0.558 . . . . 0.0 110.467 174.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' B' ' 33' ' ' ILE . 35.6 m170 -57.81 -35.5 70.94 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 124.473 1.109 . . . . 0.0 113.835 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 6.9 mm -77.79 -42.94 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 128.384 2.674 . . . . 0.0 110.619 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.83 -45.64 92.93 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.761 -0.587 . . . . 0.0 110.564 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.599 ' CD2' HG21 ' B' ' 29' ' ' VAL . 40.7 m0 -62.11 -35.57 79.11 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.613 0.765 . . . . 0.0 112.308 170.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -58.43 -56.59 20.21 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.305 0.957 . . . . 0.0 112.056 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.05 -41.96 99.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.46 1.104 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -58.2 -36.65 73.42 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.183 0.993 . . . . 0.0 112.808 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -89.99 -7.51 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 . . . . . 0 CA--C 1.548 0.884 0 C-N-CA 125.419 1.487 . . . . 0.0 113.936 -176.758 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 t80 . . . . . 0 N--CA 1.475 0.822 0 N-CA-C 112.667 0.617 . . . . 0.0 112.667 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -57.82 -34.8 70.05 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.176 1.79 . . . . 0.0 112.584 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.41 -44.3 95.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.876 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.97 -32.69 73.16 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.926 1.239 . . . . 0.0 112.717 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.51 -51.77 57.56 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.411 0.685 . . . . 0.0 110.512 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.06 -50.2 59.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.537 1.535 . . . . 0.0 112.803 171.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -68.28 -2.38 8.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.744 2.018 . . . . 0.0 114.93 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -105.8 -45.32 4.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.637 1.175 . . . . 0.0 111.65 163.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.29 -43.28 74.13 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.423 1.01 . . . . 0.0 112.821 -173.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.47 -34.2 67.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.439 -1.413 . . . . 0.0 112.767 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -60.29 -47.66 85.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 110.86 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -56.39 -47.53 78.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.98 1.312 . . . . 0.0 112.405 173.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -53.27 -47.31 69.25 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -58.16 -32.44 68.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.893 1.277 . . . . 0.0 113.278 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.67 -39.42 14.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.951 1.7 . . . . 0.0 111.597 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.96 -40.5 89.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.124 0.57 . . . . 0.0 111.176 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -70.49 -32.46 69.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.802 1.241 . . . . 0.0 114.149 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.11 -51.94 27.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.952 0.882 . . . . 0.0 110.434 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 59.68 4.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.33 1.452 . . . . 0.0 111.786 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -125.24 -50.15 1.67 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.214 1.006 . . . . 0.0 111.83 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.24 -39.45 78.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.379 1.071 . . . . 0.0 111.799 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -32.81 70.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.505 1.122 . . . . 0.0 112.748 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.5 -41.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.499 1.12 . . . . 0.0 111.645 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.8 83.29 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.386 1.469 . . . . 0.0 116.612 167.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -83.23 136.09 43.76 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 119.411 1.605 . . . . 0.0 112.474 -177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.39 -35.58 4.78 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.831 2.354 . . . . 0.0 113.716 -170.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.599 HG21 ' CD2' ' A' ' 43' ' ' TRP . 9.0 p -65.45 -28.7 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.041 0.837 . . . . 0.0 112.274 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.85 -42.47 84.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.975 1.31 . . . . 0.0 112.003 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.72 -23.62 67.31 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 174.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -94.14 -25.7 17.01 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.569 1.148 . . . . 0.0 113.124 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.614 HG12 ' CD2' ' A' ' 40' ' ' HIS . 43.2 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.989 . . . . 0.0 110.157 168.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 77.6 mt -53.06 -46.89 68.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.314 1.046 . . . . 0.0 112.832 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -37.53 84.17 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.823 1.649 . . . . 0.0 112.565 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -71.2 -41.41 70.3 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.573 1.149 . . . . 0.0 111.99 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.28 -12.74 58.2 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.44 -42.74 64.69 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.953 -1.717 . . . . 0.0 112.784 171.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.41 -39.3 72.82 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.486 -0.759 . . . . 0.0 110.714 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.526 ' CG ' HG23 ' A' ' 33' ' ' ILE . 25.6 m170 -67.42 -3.2 7.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.359 1.863 . . . . 0.0 115.538 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.0 mm -114.85 -40.12 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.821 1.649 . . . . 0.0 110.041 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.88 -52.09 65.54 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.249 -0.907 . . . . 0.0 111.836 173.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -63.23 -31.2 72.29 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.853 -0.53 . . . . 0.0 112.068 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -58.15 9.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.977 1.311 . . . . 0.0 111.788 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.14 -41.32 96.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.742 0.817 . . . . 0.0 111.467 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 68.3 m -58.03 -49.83 75.51 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.662 0.785 . . . . 0.0 112.285 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.9 mm -72.33 -8.42 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.0 t30 . . . . . 0 CA--C 1.549 0.936 0 C-N-CA 126.689 1.995 . . . . 0.0 113.437 173.897 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE1' HD22 ' B' ' 17' ' ' LEU . 7.1 p90 . . . . . 0 CA--C 1.556 1.175 0 N-CA-C 115.601 1.704 . . . . 0.0 115.601 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -23.03 64.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 118.005 2.595 . . . . 0.0 118.005 -149.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -55.15 -36.77 66.16 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.03 -29.23 69.55 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.466 1.03 . . . . 0.0 113.231 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.37 -47.03 29.43 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.468 1.107 . . . . 0.0 111.829 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -49.34 37.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.756 0.822 . . . . 0.0 112.409 166.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -69.79 4.98 1.66 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -115.72 -42.19 3.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.168 1.387 . . . . 0.0 111.446 166.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.466 ' OE2' ' OH ' ' B' ' 18' ' ' TYR . 6.1 mm-40 -71.99 -42.53 66.37 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.42 -0.8 . . . . 0.0 112.365 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -73.04 -30.19 63.55 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.97 -1.081 . . . . 0.0 111.959 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -42.83 99.58 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.122 -0.986 . . . . 0.0 111.879 172.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.74 85.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.202 0.601 . . . . 0.0 111.968 171.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.8 tpp -53.21 -44.31 67.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.447 1.099 . . . . 0.0 113.429 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -54.13 -35.82 62.61 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.182 1.393 . . . . 0.0 113.714 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.1 mt -87.23 -38.71 16.09 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.158 1.383 . . . . 0.0 111.069 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.97 -22.94 67.15 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -88.05 -10.09 51.34 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 170.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -103.22 -57.61 2.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.509 1.124 . . . . 0.0 110.52 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.44 59.12 1.41 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.492 1.917 . . . . 0.0 111.492 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -133.97 -49.99 0.82 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.209 1.403 . . . . 0.0 111.573 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.79 -31.57 64.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.153 0.581 . . . . 0.0 111.863 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -79.95 -28.29 39.65 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.859 1.264 . . . . 0.0 113.038 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -85.23 -48.24 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.166 0.986 . . . . 0.0 111.869 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -8.75 70.46 Favored Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.53 140.08 92.09 Favored Pre-proline 0 CA--C 1.551 1.012 0 CA-C-N 119.649 1.724 . . . . 0.0 113.548 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.17 -34.16 6.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.234 2.623 . . . . 0.0 113.589 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p -63.46 -25.3 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.226 -0.921 . . . . 0.0 112.708 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -34.14 72.96 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.353 1.061 . . . . 0.0 112.043 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -21.06 61.53 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 171.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 11.7 mmpt? -83.31 -33.99 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.812 1.245 . . . . 0.0 112.452 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' B' ' 40' ' ' HIS . 24.2 mm -51.14 -55.16 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.704 0.802 . . . . 0.0 111.131 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.22 -27.13 67.74 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -76.69 -23.9 53.16 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.872 -1.142 . . . . 0.0 113.9 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -77.07 -43.8 33.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.18 0.992 . . . . 0.0 111.432 167.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.95 -20.17 64.97 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.972 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -56.19 -51.96 66.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.803 -1.186 . . . . 0.0 111.958 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -59.92 -38.46 82.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.745 0.818 . . . . 0.0 111.153 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.977 ' CE1' HG23 ' B' ' 33' ' ' ILE . 29.9 m170 -67.98 -8.96 41.66 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -110.1 -37.23 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 109.729 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.53 -50.69 72.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.755 0.822 . . . . 0.0 111.059 172.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.989 ' CE2' HG21 ' B' ' 29' ' ' VAL . 31.1 m0 -65.61 -32.84 74.63 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.853 0.861 . . . . 0.0 112.442 172.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.92 -56.37 23.18 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.115 0.966 . . . . 0.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.23 -42.18 90.44 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.195 0.998 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 m -59.09 -23.83 62.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.329 1.052 . . . . 0.0 113.186 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.723 HD13 HD12 ' B' ' 30' ' ' LEU . 85.2 mt -103.33 -17.31 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 120.136 1.335 . . . . 0.0 112.464 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.2 t30 . . . . . 0 CA--C 1.544 0.736 0 C-N-CA 126.218 1.807 . . . . 0.0 113.195 172.529 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 CA--C 1.541 0.613 0 CA-C-O 121.421 0.629 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 7' ' ' LEU . 2.4 pp -52.92 -30.79 36.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.052 1.741 . . . . 0.0 114.867 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -37.96 71.97 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.49 -1.381 . . . . 0.0 112.81 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.7 -36.99 86.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.79 1.177 . . . . 0.0 111.774 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 4' ' ' LEU . 95.8 mt -59.84 -53.42 58.14 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.835 0.743 . . . . 0.0 111.636 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -51.13 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.083 0.953 . . . . 0.0 112.903 168.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.5 7.97 2.06 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.542 1.537 . . . . 0.0 114.958 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -115.54 -40.05 3.46 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.683 1.593 . . . . 0.0 111.05 165.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.19 -44.85 64.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.933 0.893 . . . . 0.0 111.515 -177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -74.98 -29.46 60.91 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.019 . . . . 0.0 113.136 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.7 -41.29 88.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.163 -0.961 . . . . 0.0 112.309 170.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.47 89.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.169 0.588 . . . . 0.0 111.735 170.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.1 ttm -54.24 -39.99 67.3 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.32 -46.49 89.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.392 0.677 . . . . 0.0 111.81 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.453 HD22 ' CE1' ' A' ' 3' ' ' TYR . 57.4 mt -67.43 -38.65 84.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.945 1.298 . . . . 0.0 111.267 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.466 ' OH ' ' OE2' ' A' ' 11' ' ' GLU . 3.7 m-85 -64.15 -10.66 24.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.312 1.445 . . . . 0.0 114.406 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.77 -10.28 11.11 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 170.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -50.47 12.02 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.138 0.975 . . . . 0.0 112.823 -175.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.31 -28.25 10.5 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.158 0.983 . . . . 0.0 113.281 -178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -54.51 -44.63 72.9 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.025 0.93 . . . . 0.0 112.178 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.09 -31.39 71.83 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.679 1.192 . . . . 0.0 113.567 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -81.63 -39.8 23.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.241 1.016 . . . . 0.0 112.932 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 73.8 t -68.66 -35.71 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.228 1.011 . . . . 0.0 111.775 177.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.91 87.27 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.322 1.439 . . . . 0.0 115.427 174.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.85 126.1 92.19 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 118.873 1.336 . . . . 0.0 112.018 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.46 -34.56 2.6 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.213 1.942 . . . . 0.0 114.983 -170.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.989 HG21 ' CE2' ' A' ' 43' ' ' TRP . 11.2 p -72.36 -31.05 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 120.255 1.389 . . . . 0.0 110.986 174.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -65.78 -39.22 90.78 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.448 -0.782 . . . . 0.0 111.238 174.179 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.41 89.19 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 168.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.594 ' HE2' ' CH2' ' A' ' 43' ' ' TRP . 11.9 pttt -67.23 -23.88 65.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.981 HD11 ' HE3' ' A' ' 43' ' ' TRP . 15.1 mt -61.6 -41.44 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.576 1.08 . . . . 0.0 112.537 178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -22.07 66.25 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.11 -31.44 72.58 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.206 1.803 . . . . 0.0 114.002 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -74.66 -38.27 62.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.352 0.661 . . . . 0.0 110.919 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.41 -23.32 67.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.854 0.862 . . . . 0.0 112.523 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.06 -45.71 92.35 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.739 -1.226 . . . . 0.0 112.091 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.77 -39.28 93.89 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.684 -0.635 . . . . 0.0 110.632 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.471 ' CD2' HD13 ' A' ' 33' ' ' ILE . 26.6 m170 -61.41 -24.67 66.67 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 mm -84.67 -42.3 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 127.251 2.22 . . . . 0.0 110.083 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.64 -45.46 93.93 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.338 -0.851 . . . . 0.0 111.202 170.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -67.54 -28.1 67.52 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.59 1.156 . . . . 0.0 113.117 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -50.32 74.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.256 0.934 . . . . 0.0 112.19 172.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.18 -44.2 97.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 111.005 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.8 m -58.08 -32.99 68.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.429 1.092 . . . . 0.0 112.753 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -9.43 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.421 1.488 . . . . 0.0 114.742 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 CA--C 1.547 0.857 0 C-N-CA 126.047 1.739 . . . . 0.0 113.599 -178.571 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 14.5 p90 . . . . . 0 CA--C 1.545 0.755 0 N-CA-C 115.109 1.522 . . . . 0.0 115.109 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.34 -19.24 0.77 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -55.95 -40.05 72.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.66 1.573 . . . . 0.0 111.926 168.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.88 -33.68 76.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.571 1.078 . . . . 0.0 112.619 176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.581 HD22 ' CE1' ' B' ' 18' ' ' TYR . 89.1 mt -64.49 -48.41 75.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.637 0.653 . . . . 0.0 111.345 170.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.91 0.884 . . . . 0.0 112.311 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -71.55 2.54 4.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -111.33 -42.69 3.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.016 1.326 . . . . 0.0 112.334 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.68 -38.95 53.59 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.13 0.877 . . . . 0.0 112.384 -172.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.96 -27.98 61.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.475 -0.766 . . . . 0.0 112.471 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -51.43 69.94 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.633 -0.667 . . . . 0.0 111.369 164.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.44 42.72 0.1 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.581 1.952 . . . . 0.0 113.872 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.28 -43.02 0.14 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.738 1.615 . . . . 0.0 112.434 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -59.82 -41.2 90.79 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.524 0.73 . . . . 0.0 112.631 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 -32.38 18.02 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.491 1.116 . . . . 0.0 111.58 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD2' HD22 ' B' ' 7' ' ' LEU . 0.1 OUTLIER -59.7 -41.27 90.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.091 0.556 . . . . 0.0 111.145 -177.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -64.29 -36.19 83.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.12 -46.17 68.33 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.101 1.36 . . . . 0.0 110.832 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.1 84.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.626 1.171 . . . . 0.0 111.798 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t -57.38 -45.92 83.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.617 0.767 . . . . 0.0 112.867 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.61 -33.79 70.42 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -89.34 -39.97 13.09 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.43 -37.81 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.16 0.984 . . . . 0.0 111.789 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.44 5.21 66.89 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.751 1.46 . . . . 0.0 116.751 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.55 144.1 97.49 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.405 1.603 . . . . 0.0 112.624 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.17 -33.08 19.64 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.718 2.278 . . . . 0.0 113.061 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.61 -29.24 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.475 -0.765 . . . . 0.0 112.43 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.616 HD11 HG12 ' B' ' 47' ' ' ILE . 9.6 mp -68.21 -43.72 77.4 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.921 -1.112 . . . . 0.0 111.202 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.32 86.84 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.419 0.554 . . . . 0.0 111.924 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -57.01 -44.6 82.95 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 168.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.38 -36.12 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.207 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.09 -41.78 88.91 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.763 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -44.48 90.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.425 1.09 . . . . 0.0 111.942 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.07 -48.79 80.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.699 0.799 . . . . 0.0 112.107 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -68.2 -33.77 75.05 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.898 -1.126 . . . . 0.0 112.678 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -60.99 -43.42 98.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.391 1.451 . . . . 0.0 111.348 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.68 -38.54 85.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -58.05 -32.57 68.13 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 117.199 -1.381 . . . . 0.0 113.944 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 44.9 mm -75.29 -38.54 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 126.19 1.796 . . . . 0.0 110.772 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -43.72 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.097 -1.002 . . . . 0.0 110.478 171.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.453 ' CG ' HG21 ' B' ' 29' ' ' VAL . 39.5 m0 -64.67 -33.52 76.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.402 0.681 . . . . 0.0 112.689 170.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.4 tt -60.1 -50.11 74.99 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.519 1.128 . . . . 0.0 111.935 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.94 -46.4 88.09 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.533 1.133 . . . . 0.0 110.919 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -31.75 68.62 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -6.4 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 . . . . . 0 CA--C 1.548 0.896 0 C-N-CA 125.449 1.5 . . . . 0.0 114.193 166.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 N--CA 1.475 0.787 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -64.98 -18.01 64.9 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -66.17 -36.94 84.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.47 1.032 . . . . 0.0 112.162 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.73 -46.69 86.81 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.784 0.834 . . . . 0.0 111.666 167.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 18' ' ' TYR . 63.9 mt -60.91 -44.93 96.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.326 0.512 . . . . 0.0 111.731 178.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.502 ' HA ' HD21 ' B' ' 44' ' ' LEU . 1.2 t80 -56.49 -54.41 46.07 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.691 1.196 . . . . 0.0 112.489 174.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -74.0 -1.69 20.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 mt -96.96 -43.24 7.54 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.25 1.42 . . . . 0.0 111.905 164.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.8 -36.08 72.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.853 1.206 . . . . 0.0 111.856 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.85 -27.18 65.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.3 -0.875 . . . . 0.0 113.209 169.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -75.73 -46.34 31.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.72 0.808 . . . . 0.0 111.627 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.4 51.42 0.25 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.201 2.2 . . . . 0.0 112.206 169.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.73 -50.5 0.11 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.384 1.874 . . . . 0.0 112.072 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -48.69 -45.18 38.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.242 1.017 . . . . 0.0 112.588 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.15 -48.11 63.22 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.262 1.025 . . . . 0.0 111.523 -175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.581 ' CE1' HD22 ' A' ' 7' ' ' LEU . 25.8 m-85 -58.27 -33.2 69.14 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.215 1.006 . . . . 0.0 113.239 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -6.34 47.58 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.45 -53.95 4.21 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.551 1.069 . . . . 0.0 110.39 170.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.419 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -75.67 -1.16 23.45 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 0.0 114.7 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -54.1 -50.54 66.61 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.196 1.362 . . . . 0.0 114.175 -174.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.31 -22.61 64.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -88.08 -29.61 20.51 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.996 1.319 . . . . 0.0 112.673 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 -42.22 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.383 1.073 . . . . 0.0 111.682 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.19 39.07 53.61 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.61 149.89 49.0 Favored Pre-proline 0 N--CA 1.48 1.059 0 CA-C-N 118.759 1.28 . . . . 0.0 113.013 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.31 -34.37 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.228 2.619 . . . . 0.0 113.21 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.453 HG21 ' CG ' ' A' ' 43' ' ' TRP . 8.5 p -65.11 -28.24 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.275 -0.89 . . . . 0.0 112.285 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.64 -45.26 93.63 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.822 1.649 . . . . 0.0 111.831 173.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.3 95.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.133 0.573 . . . . 0.0 112.338 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -64.58 -36.75 85.23 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.243 -0.911 . . . . 0.0 112.704 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.62 -45.05 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.334 1.054 . . . . 0.0 111.282 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -37.45 83.06 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.706 1.139 . . . . 0.0 111.697 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.49 -36.9 85.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.44 1.496 . . . . 0.0 113.41 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.66 -51.02 60.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.873 0.869 . . . . 0.0 112.225 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.86 -14.77 63.23 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -65.91 -61.81 1.85 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.873 1.269 . . . . 0.0 112.112 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -75.8 -17.59 59.81 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -57.74 -0.66 0.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.276 2.23 . . . . 0.0 115.621 162.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 tp -105.72 -31.51 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 120.676 1.58 . . . . 0.0 110.985 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -71.44 -50.62 29.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.275 1.03 . . . . 0.0 110.152 169.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -61.36 -26.58 67.92 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.926 0.89 . . . . 0.0 113.232 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' B' ' 8' ' ' TYR . 53.3 tp -81.05 -28.0 35.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.805 1.242 . . . . 0.0 113.421 173.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.1 -32.88 74.6 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.411 1.459 . . . . 0.0 110.838 164.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -57.16 -24.65 55.78 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.08 -1.012 . . . . 0.0 113.095 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.616 HG12 HD11 ' A' ' 30' ' ' LEU . 16.0 mt -67.18 -15.27 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 120.086 1.312 . . . . 0.0 114.035 177.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 . . . . . 0 CA--C 1.551 0.995 0 C-N-CA 126.162 1.785 . . . . 0.0 114.685 -175.188 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.962 ' CE2' HG21 ' B' ' 25' ' ' VAL . 4.0 t80 . . . . . 0 N--CA 1.47 0.558 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.47 -28.28 68.46 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -67.53 -45.71 74.92 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.142 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.59 -41.02 84.8 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.202 0.91 . . . . 0.0 111.906 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.977 HD21 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mp -60.68 -56.92 15.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.077 0.951 . . . . 0.0 112.984 171.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.22 -54.48 13.39 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.041 0.837 . . . . 0.0 113.025 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -75.99 3.33 10.52 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.89 -45.83 5.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.785 1.234 . . . . 0.0 111.309 158.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.541 ' OE2' ' OE2' ' B' ' 37' ' ' GLU . 3.0 mm-40 -75.82 -36.77 59.57 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.658 1.117 . . . . 0.0 112.805 -170.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.1 64.99 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.712 -1.242 . . . . 0.0 112.453 170.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.0 -42.6 98.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.251 0.62 . . . . 0.0 111.045 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.544 ' CB ' HD21 ' B' ' 10' ' ' LEU . . . -65.3 -39.16 92.15 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.804 1.242 . . . . 0.0 113.028 173.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttm -57.54 -42.07 82.19 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.292 0.951 . . . . 0.0 112.833 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.1 -30.69 64.57 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 171.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.83 -35.8 11.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.779 1.232 . . . . 0.0 111.14 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.487 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.2 m-85 -61.32 -40.13 93.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.063 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.96 -40.48 97.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 168.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.59 ' HG2' ' OH ' ' B' ' 3' ' ' TYR . 21.7 tt0 -76.77 -49.05 16.85 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.716 0.77 . . . . 0.0 112.452 -171.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.76 -42.15 88.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.133 0.973 . . . . 0.0 111.347 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -56.48 -49.65 74.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.017 0.826 . . . . 0.0 112.444 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.46 -30.23 60.18 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -99.84 -32.05 11.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.2 t -84.3 -34.62 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.826 1.25 . . . . 0.0 111.728 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.45 9.24 87.12 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.165 1.226 . . . . 0.0 116.165 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.22 135.38 44.48 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 119.015 1.408 . . . . 0.0 112.169 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.15 -34.79 21.26 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.818 2.345 . . . . 0.0 112.686 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.15 -34.69 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.325 -0.86 . . . . 0.0 112.139 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.679 HD12 HG12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -64.7 -40.08 94.76 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.474 -0.766 . . . . 0.0 111.537 175.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.18 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 170.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -67.37 -24.08 65.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.58 -39.29 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.001 0.819 . . . . 0.0 111.649 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -30.42 71.56 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.193 0.906 . . . . 0.0 112.885 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.02 -40.01 75.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.124 1.37 . . . . 0.0 113.065 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.35 -41.29 80.91 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.524 -0.735 . . . . 0.0 112.122 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' OE2' ' ND1' ' B' ' 40' ' ' HIS . 28.3 mm-40 -68.3 -3.67 11.74 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 174.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -84.84 -42.58 14.96 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.446 -1.409 . . . . 0.0 113.069 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -40.77 98.03 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.865 -1.147 . . . . 0.0 110.616 170.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.636 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 2.2 m170 -54.77 -9.41 0.34 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 129.851 3.261 . . . . 0.0 117.216 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.45 -26.67 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.204 1.402 . . . . 0.0 111.691 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.71 -55.75 23.87 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.173 -0.954 . . . . 0.0 110.952 163.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.479 ' CZ3' ' HE3' ' B' ' 32' ' ' LYS . 29.7 m0 -61.12 -33.69 73.78 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.31 0.644 . . . . 0.0 112.236 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -50.63 69.95 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.249 1.42 . . . . 0.0 112.558 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.54 -41.61 96.24 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -57.61 -37.19 72.83 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.598 0.759 . . . . 0.0 112.354 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -65.67 -11.35 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 C-N-CA 125.575 1.55 . . . . 0.0 114.429 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 t30 . . . . . 0 CA--C 1.551 0.996 0 C-N-CA 124.725 1.21 . . . . 0.0 113.849 170.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.59 ' OH ' ' HG2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -43.88 -36.03 2.22 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.955 2.502 . . . . 0.0 115.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -66.74 -35.07 79.24 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.268 1.394 . . . . 0.0 113.307 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.04 -36.95 84.63 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.448 1.022 . . . . 0.0 112.331 169.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -45.74 77.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.265 0.484 . . . . 0.0 111.761 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.45 -46.99 66.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.527 1.531 . . . . 0.0 111.954 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -66.16 1.57 1.47 Allowed 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.88 1.808 . . . . 0.0 115.88 172.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.544 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.94 -45.7 3.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.616 1.967 . . . . 0.0 110.165 173.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.487 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 9.6 mm-40 -74.72 -46.33 38.28 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.676 0.79 . . . . 0.0 111.501 -171.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.51 -31.99 72.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.259 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.74 -47.71 84.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.404 1.081 . . . . 0.0 111.785 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -39.27 92.56 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.538 -0.727 . . . . 0.0 112.637 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -37.6 74.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -55.53 -48.32 74.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.122 0.874 . . . . 0.0 111.87 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.18 -39.96 74.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.685 1.194 . . . . 0.0 111.995 -173.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.977 ' CE1' HD21 ' A' ' 7' ' ' LEU . 17.0 m-85 -60.86 -31.47 70.92 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -86.53 -30.5 21.88 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -70.22 -54.3 13.37 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.099 0.952 . . . . 0.0 111.358 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.539 ' CB ' ' CD1' ' A' ' 3' ' ' TYR . . . -80.37 41.17 0.52 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.425 1.89 . . . . 0.0 112.893 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -91.03 -54.37 3.98 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.358 -0.839 . . . . 0.0 111.065 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.51 -29.82 70.83 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -29.89 42.84 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.557 1.143 . . . . 0.0 113.321 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.962 HG21 ' CE2' ' A' ' 3' ' ' TYR . 84.7 t -92.54 -40.56 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.487 0.715 . . . . 0.0 112.458 -175.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.12 36.24 81.01 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 172.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.14 135.06 23.69 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.612 1.165 . . . . 0.0 111.178 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -66.5 -21.8 52.54 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.832 2.355 . . . . 0.0 114.996 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -30.02 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 120.502 1.501 . . . . 0.0 112.581 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.625 HD21 ' OH ' ' A' ' 3' ' ' TYR . 4.8 mp -59.04 -35.05 72.66 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.202 -0.937 . . . . 0.0 112.701 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.21 71.21 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.479 ' HE3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -83.26 -35.64 25.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.569 0.748 . . . . 0.0 110.841 172.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.79 -35.57 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.51 -41.01 75.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.37 1.068 . . . . 0.0 113.248 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.03 -42.27 98.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.202 1.001 . . . . 0.0 111.487 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.636 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 72.0 m-20 -57.94 -50.39 73.54 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.626 0.77 . . . . 0.0 111.38 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.541 ' OE2' ' OE2' ' A' ' 11' ' ' GLU . 29.6 mm-40 -68.83 -28.1 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.472 -0.767 . . . . 0.0 112.625 179.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.83 -35.68 77.26 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.816 -1.177 . . . . 0.0 113.332 170.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -43.96 77.79 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.81 -1.181 . . . . 0.0 109.987 172.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.549 ' ND1' ' OE2' ' A' ' 37' ' ' GLU . 50.6 m170 -56.38 -33.52 65.81 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.029 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.446 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -80.75 -34.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.479 1.912 . . . . 0.0 111.348 -175.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.26 -46.8 72.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.696 0.798 . . . . 0.0 109.872 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -61.84 -30.72 71.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.731 0.813 . . . . 0.0 112.593 171.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.1 tt -58.53 -55.36 36.0 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.05 0.94 . . . . 0.0 112.684 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -69.58 -29.74 67.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.01 0.924 . . . . 0.0 112.5 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.2 m -62.28 -29.97 70.8 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.364 -0.835 . . . . 0.0 112.156 170.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.679 HG12 HD12 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -68.45 -7.02 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -179.278 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m120 . . . . . 0 CA--C 1.546 0.797 0 C-N-CA 125.592 1.557 . . . . 0.0 114.854 175.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.8 mt -51.13 -34.37 30.61 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.87 2.468 . . . . 0.0 112.508 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.32 -43.33 61.06 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.409 -1.432 . . . . 0.0 112.028 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -39.74 92.2 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.367 1.067 . . . . 0.0 112.014 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.27 -54.74 43.57 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.072 1.349 . . . . 0.0 111.446 171.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -51.7 56.43 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.559 0.744 . . . . 0.0 112.965 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -1.74 13.89 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.9 -38.33 7.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.192 0.997 . . . . 0.0 111.485 166.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.45 -44.65 34.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.884 0.874 . . . . 0.0 112.113 -172.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.3 75.02 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.549 -0.719 . . . . 0.0 111.905 172.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.0 89.94 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.733 1.213 . . . . 0.0 112.704 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -45.26 79.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.511 0.724 . . . . 0.0 112.27 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -53.52 -41.74 66.67 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.576 1.151 . . . . 0.0 113.015 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -50.58 -35.91 32.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.823 1.649 . . . . 0.0 114.13 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.3 mt -92.29 -41.16 10.54 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.974 1.71 . . . . 0.0 110.971 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.916 ' CE1' HD22 ' B' ' 7' ' ' LEU . 12.5 m-85 -55.74 -43.15 76.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.583 0.753 . . . . 0.0 111.821 172.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -69.53 -29.45 67.06 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.276 -0.89 . . . . 0.0 113.181 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.49 -45.1 66.32 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.969 0.908 . . . . 0.0 110.699 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.98 76.14 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -62.59 -44.99 94.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.401 -0.812 . . . . 0.0 112.421 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -64.66 -35.99 82.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.627 0.771 . . . . 0.0 113.039 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -67.21 -39.48 86.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -144.53 -57.19 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.574 0.749 . . . . 0.0 111.923 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.27 -65.82 0.57 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.339 1.447 . . . . 0.0 111.502 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 48.87 129.84 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 129.622 3.169 . . . . 0.0 116.554 -172.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.82 -40.51 5.14 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.964 1.776 . . . . 0.0 113.876 -168.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG2' ' CE3' ' B' ' 43' ' ' TRP . 2.6 p -75.17 -25.33 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.714 0.688 . . . . 0.0 112.067 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.54 -42.84 77.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.019 1.327 . . . . 0.0 111.922 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.67 79.01 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.444 -0.785 . . . . 0.0 112.261 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -65.32 -39.38 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.0 0.92 . . . . 0.0 112.927 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mt -60.96 -47.26 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.032 0.933 . . . . 0.0 111.615 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -32.73 74.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.312 0.96 . . . . 0.0 112.192 178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.4 -39.02 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.377 1.471 . . . . 0.0 112.871 171.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.43 ' HB2' ' NE2' ' B' ' 40' ' ' HIS . 86.2 m-20 -72.1 -41.12 67.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.072 -1.018 . . . . 0.0 112.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.474 ' OE2' ' OE2' ' B' ' 11' ' ' GLU . 33.3 mm-40 -63.93 -6.43 6.07 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 171.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -78.94 -54.33 6.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.24 1.382 . . . . 0.0 112.36 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -53.58 -39.48 64.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.126 0.971 . . . . 0.0 111.36 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.705 ' CE1' HG23 ' B' ' 33' ' ' ILE . 7.9 m170 -57.08 -6.3 0.35 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.941 2.897 . . . . 0.0 117.0 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -110.31 -37.82 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.405 1.457 . . . . 0.0 109.972 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.93 -52.94 62.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.291 -0.881 . . . . 0.0 111.161 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD2' HG21 ' B' ' 29' ' ' VAL . 40.6 m0 -59.99 -33.28 71.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.22 0.608 . . . . 0.0 112.18 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.35 -57.17 12.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.412 1.485 . . . . 0.0 112.384 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -31.08 34.26 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.217 1.007 . . . . 0.0 112.299 -178.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.6 m -60.59 -34.99 75.02 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.848 -1.157 . . . . 0.0 111.854 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.13 -8.56 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 m120 . . . . . 0 CA--C 1.547 0.831 0 O-C-N 120.586 -1.321 . . . . 0.0 113.887 166.798 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.5 p90 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pp -48.77 -27.33 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.559 2.344 . . . . 0.0 115.396 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -71.47 -38.06 71.28 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.268 1.827 . . . . 0.0 113.385 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.68 -45.79 85.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 119.15 0.886 . . . . 0.0 111.355 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.916 HD22 ' CE1' ' A' ' 18' ' ' TYR . 1.3 mt -57.61 -42.56 83.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.754 0.706 . . . . 0.0 111.999 176.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.4 -51.88 66.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.428 0.691 . . . . 0.0 112.019 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.75 15.97 0.09 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.711 1.604 . . . . 0.0 115.127 170.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 71.0 mt -125.18 -39.24 2.24 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.529 1.532 . . . . 0.0 111.608 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.474 ' OE2' ' OE2' ' A' ' 37' ' ' GLU . 5.5 mm-40 -77.37 -51.62 10.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.439 1.096 . . . . 0.0 111.065 -177.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -36.84 84.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.276 1.03 . . . . 0.0 112.953 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.96 -44.44 96.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.392 0.677 . . . . 0.0 111.991 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.4 99.02 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.824 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.88 -40.63 66.75 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.101 1.318 . . . . 0.0 113.87 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -54.18 -50.2 67.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.529 0.731 . . . . 0.0 112.316 172.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt -72.98 -38.21 66.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.619 1.567 . . . . 0.0 111.911 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.94 -44.25 82.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.272 1.429 . . . . 0.0 110.758 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -74.69 -36.17 62.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.986 0.812 . . . . 0.0 111.532 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.59 -46.74 81.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.642 0.777 . . . . 0.0 111.305 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.66 83.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.119 1.368 . . . . 0.0 111.975 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -57.95 -45.65 86.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.171 0.896 . . . . 0.0 112.473 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.31 -20.81 65.82 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -44.22 9.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.472 1.109 . . . . 0.0 112.82 171.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.5 t -84.37 -39.65 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.119 1.367 . . . . 0.0 112.695 -169.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.66 9.25 82.43 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.103 1.335 . . . . 0.0 116.367 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 138.38 83.24 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.546 1.673 . . . . 0.0 112.696 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.28 -35.15 11.58 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.953 2.436 . . . . 0.0 113.209 -173.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 43' ' ' TRP . 9.7 p -67.09 -32.96 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.507 -0.746 . . . . 0.0 111.812 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -41.63 88.34 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.499 -0.751 . . . . 0.0 111.02 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.02 95.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 113.045 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -59.84 -38.95 83.52 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.821 0.848 . . . . 0.0 112.655 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.705 HG23 ' CE1' ' A' ' 40' ' ' HIS . 54.2 mt -61.74 -29.92 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.46 -0.781 . . . . 0.0 113.0 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 31.0 mt -55.79 -41.54 74.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 120.382 1.447 . . . . 0.0 111.389 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -43.52 71.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.594 1.558 . . . . 0.0 113.119 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -44.98 96.51 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.622 -0.674 . . . . 0.0 111.482 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.522 ' OE2' ' CE1' ' A' ' 40' ' ' HIS . 43.8 mm-40 -73.38 -19.8 60.91 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.971 -1.08 . . . . 0.0 113.174 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -45.78 73.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.697 1.135 . . . . 0.0 112.295 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -70.96 -37.72 72.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.367 -0.833 . . . . 0.0 111.354 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.43 ' NE2' ' HB2' ' A' ' 36' ' ' ASP . 26.4 m170 -51.19 -44.64 61.59 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.436 ' HA ' ' HB3' ' B' ' 44' ' ' LEU . 20.0 tt -83.58 -33.27 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.832 1.653 . . . . 0.0 111.189 -170.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.13 -47.85 82.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.096 0.862 . . . . 0.0 109.831 165.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.435 ' CE3' ' CG2' ' A' ' 29' ' ' VAL . 50.4 m0 -72.05 -34.99 69.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.086 0.954 . . . . 0.0 113.383 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' B' ' 41' ' ' ILE . 32.7 tp -66.28 -38.99 89.08 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.513 0.725 . . . . 0.0 111.317 172.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -68.3 -44.99 74.25 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.235 -0.916 . . . . 0.0 111.677 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -58.11 -23.71 55.93 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.33 1.052 . . . . 0.0 113.405 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -5.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -179.373 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.428 ' OH ' ' HD2' ' B' ' 24' ' ' ARG . 1.0 OUTLIER . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 115.492 1.664 . . . . 0.0 115.492 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -34.29 63.6 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.561 1.944 . . . . 0.0 114.803 -170.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -59.21 -43.93 92.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.796 0.839 . . . . 0.0 112.761 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.58 -33.07 75.05 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.944 0.793 . . . . 0.0 112.182 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.93 -45.96 69.47 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 118.507 0.594 . . . . 0.0 110.71 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -50.89 57.36 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.285 1.434 . . . . 0.0 111.652 170.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.88 2.89 0.92 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.9 mt -122.58 -37.32 2.79 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.343 1.457 . . . . 0.0 113.231 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -75.58 -30.56 59.68 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.788 -1.195 . . . . 0.0 111.994 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.15 6.77 7.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.348 1.459 . . . . 0.0 113.595 168.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.31 -44.34 1.58 Allowed 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.833 1.253 . . . . 0.0 111.688 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 59.68 0.06 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.718 0.807 . . . . 0.0 110.059 151.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.0 tpp -158.31 -51.78 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.067 1.747 . . . . 0.0 113.589 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.13 -42.1 98.9 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.297 0.953 . . . . 0.0 112.317 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -31.73 64.94 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.629 0.772 . . . . 0.0 110.968 178.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 1.073 ' CE1' HD22 ' B' ' 7' ' ' LEU . 2.6 m-85 -60.15 -54.89 40.46 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.78 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -60.45 -37.18 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.97 1.259 . . . . 0.0 113.537 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.35 -51.49 69.3 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.607 1.094 . . . . 0.0 111.825 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.7 89.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.986 0.915 . . . . 0.0 112.427 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -64.37 -37.84 88.92 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.494 1.117 . . . . 0.0 113.161 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.51 -28.55 60.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.749 1.219 . . . . 0.0 112.81 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -89.84 -68.11 0.8 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.054 0.941 . . . . 0.0 110.985 169.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.53 -69.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.162 1.785 . . . . 0.0 110.764 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.64 -4.11 3.21 Favored Glycine 0 CA--C 1.544 1.902 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.565 ' CB ' HG12 ' B' ' 47' ' ' ILE . 12.4 t70 70.47 136.04 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 128.182 2.593 . . . . 0.0 111.746 -157.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.09 -18.37 50.67 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.831 2.354 . . . . 0.0 115.858 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.91 ' CG1' HD11 ' B' ' 47' ' ' ILE . 3.8 p -65.86 -25.21 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.652 1.569 . . . . 0.0 113.144 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.402 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.8 tt -59.13 -41.51 88.41 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.933 -1.104 . . . . 0.0 111.594 174.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.12 0.14 1.02 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 172.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -116.96 -31.17 5.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.845 1.658 . . . . 0.0 110.716 172.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.85 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 121.866 -0.521 . . . . 0.0 111.237 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.84 -23.77 66.75 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.92 72.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.298 1.439 . . . . 0.0 112.826 169.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.57 ' OD2' ' NE2' ' B' ' 40' ' ' HIS . 90.6 m-20 -59.12 -46.58 87.96 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.375 -0.828 . . . . 0.0 110.932 171.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.492 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 24.4 mm-40 -67.51 -12.25 59.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.69 -51.73 18.16 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.79 -1.194 . . . . 0.0 111.485 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.14 -34.55 73.68 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 121.583 -0.698 . . . . 0.0 111.317 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CE1' HG23 ' B' ' 33' ' ' ILE . 27.2 m170 -62.32 -5.12 2.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.252 2.221 . . . . 0.0 116.282 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -31.3 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.441 1.496 . . . . 0.0 110.872 176.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.93 -49.98 58.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.683 0.793 . . . . 0.0 111.146 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CG ' HG21 ' B' ' 29' ' ' VAL . 30.0 m0 -60.79 -34.55 74.67 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 172.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -58.25 9.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.505 1.122 . . . . 0.0 111.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -68.19 -38.5 82.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.986 0.914 . . . . 0.0 112.356 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.3 m -57.12 -23.5 47.59 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.79 1.236 . . . . 0.0 113.86 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.34 -9.8 9.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 127.158 2.183 . . . . 0.0 110.274 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.8 t30 . . . . . 0 CA--C 1.55 0.964 0 C-N-CA 126.669 1.988 . . . . 0.0 112.846 173.313 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 55.8 p90 . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 113.022 0.749 . . . . 0.0 113.022 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.29 -14.58 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -68.66 -38.77 80.67 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.233 1.379 . . . . 0.0 111.104 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.01 -43.69 98.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.303 168.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 1.073 HD22 ' CE1' ' A' ' 18' ' ' TYR . 87.4 mt -56.65 -52.02 66.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.648 1.113 . . . . 0.0 112.058 174.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.05 47.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.347 1.059 . . . . 0.0 112.727 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -74.92 -2.37 26.71 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.4 mt -103.54 -38.08 7.29 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.728 1.611 . . . . 0.0 111.54 167.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.492 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 5.3 mm-40 -77.49 -36.0 53.08 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.561 1.073 . . . . 0.0 112.059 -176.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.556 1.071 . . . . 0.0 112.586 169.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -54.79 24.84 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.019 0.528 . . . . 0.0 110.602 169.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.86 46.07 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.181 2.192 . . . . 0.0 113.598 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -45.67 0.21 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.903 1.681 . . . . 0.0 111.472 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.85 -51.96 65.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.616 0.766 . . . . 0.0 112.052 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.04 69.12 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.37 -43.56 97.28 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.562 1.074 . . . . 0.0 111.988 -173.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.75 -44.64 86.26 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.5 -48.11 65.29 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.589 1.086 . . . . 0.0 112.547 -172.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.59 91.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.622 1.169 . . . . 0.0 111.272 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -58.64 -43.96 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.261 0.625 . . . . 0.0 112.494 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.21 -25.57 47.7 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.82 1.248 . . . . 0.0 114.054 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 0.428 ' HD2' ' OH ' ' A' ' 3' ' ' TYR . 58.1 mtt180 -104.76 -42.71 5.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.571 1.149 . . . . 0.0 113.723 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.97 -35.34 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.196 1.398 . . . . 0.0 112.054 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 1.68 56.9 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 133.85 91.82 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 119.718 1.759 . . . . 0.0 112.005 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.18 -34.13 10.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.696 2.264 . . . . 0.0 113.489 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.407 HG21 ' CG ' ' A' ' 43' ' ' TRP . 6.2 p -68.84 -29.48 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.27 0.941 . . . . 0.0 112.165 175.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -43.08 95.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.193 0.997 . . . . 0.0 111.213 172.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.09 99.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.028 0.531 . . . . 0.0 112.324 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.82 -34.31 72.89 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.342 1.057 . . . . 0.0 113.013 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.551 HG23 ' CE1' ' A' ' 40' ' ' HIS . 66.0 mt -66.02 -41.66 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.842 -0.599 . . . . 0.0 111.714 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -37.98 84.77 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.397 0.999 . . . . 0.0 111.899 174.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.84 -38.07 89.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.745 1.218 . . . . 0.0 112.276 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -74.59 -33.53 62.66 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.473 ' OE2' ' ND1' ' A' ' 40' ' ' HIS . 59.4 mm-40 -72.06 -13.77 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.232 -1.543 . . . . 0.0 113.315 171.036 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.23 -53.47 29.89 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.325 0.966 . . . . 0.0 112.392 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -24.69 64.0 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.57 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 14.2 m170 -59.03 -14.77 10.49 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.477 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 2.9 tt -115.31 -24.8 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.16 1.384 . . . . 0.0 112.645 -167.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.85 -48.99 76.65 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.439 -0.788 . . . . 0.0 110.042 158.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -60.41 -36.52 78.33 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.484 0.714 . . . . 0.0 112.593 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.4 tt -57.98 -48.26 80.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.857 1.263 . . . . 0.0 112.443 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -65.58 -43.25 90.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.775 1.23 . . . . 0.0 112.214 175.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 98.1 m -55.78 -40.37 72.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.163 0.985 . . . . 0.0 112.403 173.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.91 HD11 ' CG1' ' A' ' 29' ' ' VAL . 36.5 mt -61.72 -13.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.511 1.925 . . . . 0.0 114.835 174.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 . . . . . 0 N--CA 1.471 0.623 0 C-N-CA 125.607 1.563 . . . . 0.0 114.014 179.383 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 1.121 ' OH ' ' HB3' ' B' ' 20' ' ' GLU . 5.4 t80 . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 114.551 1.315 . . . . 0.0 114.551 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.78 -25.55 68.28 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 127.738 2.415 . . . . 0.0 114.981 -171.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -55.82 -43.23 76.77 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.693 0.797 . . . . 0.0 112.601 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.41 -35.63 76.24 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.206 0.912 . . . . 0.0 112.531 175.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.614 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 2.0 mp -71.13 -46.58 61.35 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.565 1.146 . . . . 0.0 112.265 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -48.21 66.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.484 0.713 . . . . 0.0 112.809 169.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -69.02 7.11 0.76 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 173.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.85 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -122.01 -45.82 2.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.885 2.074 . . . . 0.0 110.449 176.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' B' ' 37' ' ' GLU . 5.4 mm-40 -73.97 -48.22 31.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.113 0.965 . . . . 0.0 111.014 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.3 69.88 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.53 -0.731 . . . . 0.0 112.097 174.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.15 -47.27 86.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.837 0.855 . . . . 0.0 111.672 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.61 95.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.454 0.702 . . . . 0.0 112.32 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -40.42 75.41 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.48 1.036 . . . . 0.0 113.446 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -55.95 -46.75 78.45 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.082 0.856 . . . . 0.0 112.358 172.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 6' ' ' GLU . 65.5 mt -70.74 -41.51 71.73 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.037 0.935 . . . . 0.0 111.601 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.3 -39.41 92.9 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.641 0.776 . . . . 0.0 111.565 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -74.23 -33.86 63.49 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.354 0.979 . . . . 0.0 112.51 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.24 -46.88 81.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.449 0.568 . . . . 0.0 110.8 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' CB ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.92 -42.76 98.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.868 1.267 . . . . 0.0 112.664 172.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -56.05 -51.13 68.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.251 -0.905 . . . . 0.0 112.109 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -71.88 -1.31 13.83 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -114.91 -17.65 11.47 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.812 1.645 . . . . 0.0 114.45 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.412 HG21 ' OH ' ' B' ' 3' ' ' TYR . 24.5 t -131.6 -32.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.183 0.993 . . . . 0.0 112.96 -172.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.11 71.54 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 171.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.07 139.93 95.95 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 119.574 1.687 . . . . 0.0 112.309 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.29 -34.81 9.35 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.783 2.322 . . . . 0.0 113.399 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -71.39 -26.0 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.278 -0.889 . . . . 0.0 112.693 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -39.11 82.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.172 0.989 . . . . 0.0 111.556 172.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.38 70.07 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -81.26 -30.71 34.01 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.315 -0.866 . . . . 0.0 113.122 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' B' ' 40' ' ' HIS . 95.7 mt -55.63 -45.57 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.716 1.207 . . . . 0.0 111.346 164.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.97 -43.89 91.44 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.297 0.953 . . . . 0.0 112.024 175.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -42.69 99.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.923 1.289 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.75 -42.71 77.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.236 0.615 . . . . 0.0 111.966 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' OE2' ' OE1' ' B' ' 37' ' ' GLU . 50.7 mm-40 -67.19 -26.35 66.58 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.749 -1.219 . . . . 0.0 113.535 173.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.95 -46.18 90.23 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.018 1.735 . . . . 0.0 112.06 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -57.73 -41.44 81.83 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.879 -0.513 . . . . 0.0 111.202 173.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.662 ' CD2' HG12 ' B' ' 33' ' ' ILE . 34.6 m170 -65.08 -13.2 57.41 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.83 -38.88 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.96 1.704 . . . . 0.0 109.663 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.21 -48.65 79.7 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.47 -0.768 . . . . 0.0 111.028 171.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.595 ' CG ' HG21 ' B' ' 29' ' ' VAL . 28.4 m0 -63.99 -34.89 79.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.478 0.711 . . . . 0.0 112.423 172.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -59.55 4.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.739 0.816 . . . . 0.0 111.656 176.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.51 -41.73 97.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 111.777 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 m -59.02 -31.15 68.56 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.286 1.034 . . . . 0.0 112.923 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.82 -19.87 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.363 1.065 . . . . 0.0 113.172 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 . . . . . 0 CA--C 1.543 0.682 0 C-N-CA 125.245 1.418 . . . . 0.0 114.102 179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.587 ' CE2' ' CB ' ' A' ' 21' ' ' ALA . 42.5 p90 . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 119.724 -0.179 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -29.97 -45.79 0.06 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 129.805 3.242 . . . . 0.0 113.958 164.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -73.25 -41.87 63.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.996 1.319 . . . . 0.0 112.911 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.0 mt-10 -61.6 -28.13 69.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.273 -0.87 . . . . 0.0 112.113 168.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.02 -55.44 14.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.667 1.121 . . . . 0.0 110.432 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -51.11 63.1 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.359 1.063 . . . . 0.0 113.681 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -73.38 -5.27 38.66 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 54.4 mt -100.26 -40.64 7.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.329 0.513 . . . . 0.0 111.721 165.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.08 -35.34 64.22 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.267 -0.896 . . . . 0.0 112.666 -171.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -31.62 57.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.187 -0.945 . . . . 0.0 112.483 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -40.47 97.65 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.568 -0.707 . . . . 0.0 111.844 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.85 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -52.38 -44.45 65.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.733 0.813 . . . . 0.0 112.118 172.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.83 -40.3 97.0 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -59.49 -44.96 92.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.343 0.657 . . . . 0.0 112.14 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.416 HD12 HD22 ' A' ' 10' ' ' LEU . 60.4 mt -68.51 -40.34 80.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.055 0.942 . . . . 0.0 111.859 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.614 ' CE1' ' CD2' ' A' ' 7' ' ' LEU . 9.5 m-85 -63.33 -42.19 98.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.414 0.686 . . . . 0.0 111.679 177.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -73.61 -26.84 60.98 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.358 0.981 . . . . 0.0 113.221 174.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . 1.121 ' HB3' ' OH ' ' A' ' 3' ' ' TYR . 21.1 tt0 -70.57 -53.48 15.86 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.075 0.852 . . . . 0.0 111.632 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.925 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . . . -56.16 -24.03 38.72 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.764 1.226 . . . . 0.0 113.623 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -37.12 71.74 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.606 1.163 . . . . 0.0 113.513 171.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -23.83 63.78 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -91.58 -42.55 10.15 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.316 1.046 . . . . 0.0 113.512 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 t -135.38 -54.78 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.846 0.748 . . . . 0.0 112.933 -171.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.65 51.32 53.18 Favored Glycine 0 CA--C 1.535 1.341 0 N-CA-C 114.657 0.623 . . . . 0.0 114.657 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.67 148.93 9.0 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.164 0.986 . . . . 0.0 112.193 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.09 -31.54 75.72 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.043 1.829 . . . . 0.0 112.909 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.595 HG21 ' CG ' ' A' ' 43' ' ' TRP . 7.1 p -71.88 -28.18 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 174.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.53 -41.82 90.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.784 1.234 . . . . 0.0 111.239 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.53 97.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.24 -36.11 83.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.996 0.918 . . . . 0.0 112.897 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.662 HG12 ' CD2' ' A' ' 40' ' ' HIS . 60.5 mt -68.46 -45.63 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.693 0.797 . . . . 0.0 111.771 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -29.16 70.53 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.348 0.976 . . . . 0.0 112.083 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -40.26 96.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.837 1.655 . . . . 0.0 112.739 170.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.13 -37.06 61.55 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.191 -0.943 . . . . 0.0 112.649 175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.502 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 32.5 mm-40 -65.0 -13.82 58.81 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.315 -0.866 . . . . 0.0 113.158 169.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.18 -49.09 53.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.143 1.338 . . . . 0.0 111.861 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -42.07 61.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.582 0.753 . . . . 0.0 111.133 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.557 ' CD2' HG12 ' A' ' 33' ' ' ILE . 33.0 m170 -66.94 -1.87 4.57 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 116.215 1.932 . . . . 0.0 116.215 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -111.71 -40.09 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.323 1.449 . . . . 0.0 110.184 173.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -48.92 74.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.307 -0.87 . . . . 0.0 111.735 173.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -64.76 -29.34 70.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.474 0.71 . . . . 0.0 112.475 173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -59.82 4.8 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.314 1.446 . . . . 0.0 111.646 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.68 -33.96 76.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.5 1.12 . . . . 0.0 111.51 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.9 m -60.49 -22.13 63.19 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.516 1.126 . . . . 0.0 113.484 170.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.35 -6.98 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.818 1.647 . . . . 0.0 114.245 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 CA--C 1.547 0.86 0 C-N-CA 125.374 1.47 . . . . 0.0 114.532 176.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.412 ' CE1' ' HB1' ' B' ' 21' ' ' ALA 0.253 1.8 p90 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -56.2 -19.15 12.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.919 2.487 . . . . 0.0 115.321 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -58.4 -34.28 70.57 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.0 -1.062 . . . . 0.0 113.842 171.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.1 -38.32 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.005 1.275 . . . . 0.0 112.488 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.3 -55.86 29.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.246 1.419 . . . . 0.0 110.75 167.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -50.11 43.45 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.246 0.546 . . . . 0.0 112.294 176.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -66.89 -3.63 7.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -113.76 -35.73 5.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.915 1.286 . . . . 0.0 112.096 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.37 -40.31 70.68 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.89 1.276 . . . . 0.0 112.179 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -79.55 -18.77 51.05 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.207 -0.933 . . . . 0.0 113.453 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -72.81 -43.86 62.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.06 -1.025 . . . . 0.0 110.786 166.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 47.85 0.16 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.876 2.07 . . . . 0.0 112.924 165.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.2 tpp -153.35 -53.36 0.11 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.217 1.807 . . . . 0.0 111.265 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -59.83 -43.51 94.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.732 0.696 . . . . 0.0 111.648 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -70.41 -42.45 71.64 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.054 1.341 . . . . 0.0 111.672 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.442 ' CE2' HD23 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -64.39 -27.97 69.37 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.656 0.783 . . . . 0.0 112.618 178.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -95.37 -17.37 21.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 -56.44 6.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.189 0.904 . . . . 0.0 111.217 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 50.45 1.15 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.114 1.766 . . . . 0.0 113.524 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -105.64 -50.9 3.1 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.959 0.904 . . . . 0.0 111.399 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.81 -38.17 90.12 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -72.54 -33.84 67.13 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.36 -41.3 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 118.474 0.579 . . . . 0.0 112.485 -171.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.43 -12.63 9.64 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 171.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -66.96 136.72 94.43 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-N 119.802 1.801 . . . . 0.0 112.799 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.29 -29.41 7.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.998 2.465 . . . . 0.0 113.875 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.77 -27.82 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 120.999 -1.063 . . . . 0.0 112.746 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.38 -41.35 93.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.775 1.63 . . . . 0.0 112.009 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.77 73.29 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.61 -0.681 . . . . 0.0 112.692 170.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -65.0 -34.75 79.18 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.098 -1.001 . . . . 0.0 112.79 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.7 -49.92 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.327 1.051 . . . . 0.0 111.611 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.289 1.7 pp -64.85 -17.35 64.2 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.873 1.67 . . . . 0.0 113.594 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -79.21 -43.85 23.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.549 1.539 . . . . 0.0 113.919 165.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.52 -46.11 84.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.014 1.326 . . . . 0.0 112.777 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.89 -10.43 53.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.37 -48.07 52.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 112.278 170.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -59.43 -37.46 78.15 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -62.89 -11.46 18.51 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -107.17 -38.86 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 126.837 2.055 . . . . 0.0 109.596 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.13 -45.97 92.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.074 -1.016 . . . . 0.0 111.682 172.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -64.62 -32.59 74.31 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.885 0.874 . . . . 0.0 112.411 171.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -50.74 68.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.707 1.203 . . . . 0.0 112.064 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.24 -39.6 90.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.228 1.411 . . . . 0.0 111.871 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -60.37 -36.05 77.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.552 0.741 . . . . 0.0 112.264 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mt -75.29 -12.49 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.617 1.567 . . . . 0.0 113.777 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.0 t30 . . . . . 0 CA--C 1.55 0.977 0 C-N-CA 124.826 1.25 . . . . 0.0 113.987 174.774 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 24.3 t80 . . . . . 0 CA--C 1.536 0.426 0 CA-C-O 118.685 -0.674 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -32.15 2.89 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 115.156 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -58.13 -42.67 86.32 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.615 -1.303 . . . . 0.0 114.043 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -64.67 -28.01 69.31 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.961 1.255 . . . . 0.0 112.417 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 18' ' ' TYR . 2.5 mp -74.26 -44.44 52.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.269 1.028 . . . . 0.0 111.397 174.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . 0.409 ' HA ' HD11 ' B' ' 44' ' ' LEU . 0.3 OUTLIER -53.92 -50.13 67.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.86 1.264 . . . . 0.0 112.256 171.532 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.83 8.05 1.7 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.301 1.44 . . . . 0.0 114.772 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -114.31 -42.68 3.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.235 1.014 . . . . 0.0 112.333 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.34 -43.61 73.31 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.31 0.959 . . . . 0.0 111.961 -174.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.5 -31.91 65.74 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.229 -0.919 . . . . 0.0 113.024 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.11 -43.55 98.71 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.898 0.879 . . . . 0.0 112.02 173.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.6 74.54 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.802 -0.561 . . . . 0.0 111.945 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.0 tpp -51.0 -41.69 59.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.763 1.225 . . . . 0.0 113.303 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -54.31 -40.77 68.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -79.75 -44.54 20.53 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 125.098 1.359 . . . . 0.0 111.178 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.4 -39.37 67.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.884 1.274 . . . . 0.0 112.21 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -79.77 -24.9 41.18 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -79.92 -51.19 9.4 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.738 0.78 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -76.43 -15.96 59.8 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -171.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -52.62 -49.67 64.63 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.142 1.337 . . . . 0.0 113.837 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -68.38 -12.29 60.91 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -102.16 -35.5 8.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.35 1.46 . . . . 0.0 112.752 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.15 -39.7 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.887 0.875 . . . . 0.0 111.315 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.27 -20.78 3.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.216 1.389 . . . . 0.0 115.934 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.07 126.45 89.06 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 119.25 1.525 . . . . 0.0 111.671 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.96 -21.36 27.99 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.876 2.384 . . . . 0.0 115.036 -172.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -24.36 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.387 1.449 . . . . 0.0 112.593 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.93 -39.18 74.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.481 1.512 . . . . 0.0 112.17 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.05 85.17 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.52 -0.738 . . . . 0.0 112.938 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.7 -35.47 81.14 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.996 0.918 . . . . 0.0 112.362 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.24 -47.56 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 111.49 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -32.31 72.23 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.361 0.982 . . . . 0.0 112.383 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.88 -42.0 99.61 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.034 1.334 . . . . 0.0 112.759 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -65.42 -47.72 75.26 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.547 0.739 . . . . 0.0 111.403 171.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.99 -26.41 64.07 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.37 -52.2 49.25 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.366 1.439 . . . . 0.0 111.689 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.31 -37.09 69.45 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.713 1.605 . . . . 0.0 112.883 174.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -57.54 -29.42 64.36 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 117.344 -1.312 . . . . 0.0 114.205 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 35.1 mm -75.74 -34.12 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.376 1.871 . . . . 0.0 110.949 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.64 -47.08 82.79 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 171.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -61.61 -31.19 71.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.733 0.813 . . . . 0.0 112.729 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 2.1 tt -62.3 -49.97 73.51 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.72 0.808 . . . . 0.0 112.522 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.47 -33.65 76.04 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.609 -0.682 . . . . 0.0 111.734 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.3 m -55.99 -24.76 40.68 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.0 -1.063 . . . . 0.0 113.365 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.46 -10.11 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 120.157 1.344 . . . . 0.0 113.223 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 . . . . . 0 CA--C 1.55 0.954 0 C-N-CA 126.332 1.853 . . . . 0.0 114.025 169.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 1.149 ' CZ ' ' CB ' ' B' ' 21' ' ' ALA . 38.6 t80 . . . . . 0 CA--C 1.541 0.617 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.519 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mp -55.82 -31.36 62.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.535 1.534 . . . . 0.0 114.683 -169.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -54.29 -40.19 67.66 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.477 1.111 . . . . 0.0 113.263 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.9 -34.83 79.03 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.227 0.921 . . . . 0.0 111.798 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -71.38 -42.21 68.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.121 0.968 . . . . 0.0 112.086 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -51.02 34.27 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.739 0.816 . . . . 0.0 112.413 163.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.0 8.32 0.76 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 174.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.526 ' CD1' HD12 ' B' ' 17' ' ' LEU . 83.0 mt -118.8 -42.14 2.74 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.915 1.686 . . . . 0.0 111.284 169.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.9 -47.2 39.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.723 1.209 . . . . 0.0 111.866 -174.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.88 -33.74 74.27 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.396 -0.815 . . . . 0.0 112.085 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -60.61 -48.98 79.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.258 1.023 . . . . 0.0 111.706 172.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.75 96.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.54 0.736 . . . . 0.0 112.439 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 tpp -53.84 -44.41 70.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.952 0.901 . . . . 0.0 112.811 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -54.12 -40.24 67.17 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.527 1.131 . . . . 0.0 112.602 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.428 HD12 ' CD1' ' B' ' 10' ' ' LEU . 71.4 mt -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.052 1.341 . . . . 0.0 112.032 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' B' ' 7' ' ' LEU . 11.7 m-85 -66.66 -31.65 72.47 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.315 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -72.39 -33.72 67.4 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.873 1.215 . . . . 0.0 114.01 166.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.23 -53.7 15.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.511 1.124 . . . . 0.0 111.42 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.27 -9.65 58.47 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.869 1.267 . . . . 0.0 114.231 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -56.13 -51.08 69.23 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.627 1.103 . . . . 0.0 113.412 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -61.78 -36.53 81.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.931 0.892 . . . . 0.0 112.159 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -80.28 -28.62 38.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.454 1.102 . . . . 0.0 113.632 -176.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.707 HG22 ' OH ' ' B' ' 3' ' ' TYR . 78.1 t -93.42 -44.98 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.339 1.056 . . . . 0.0 111.792 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.05 -10.03 4.82 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.29 139.72 97.6 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 119.885 1.843 . . . . 0.0 112.205 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.96 -27.29 12.28 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.883 2.389 . . . . 0.0 113.443 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -68.12 -20.12 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.863 1.21 . . . . 0.0 113.324 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.06 -35.19 66.68 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.953 -1.092 . . . . 0.0 112.455 167.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.87 78.5 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.833 0.742 . . . . 0.0 112.593 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.72 -39.69 56.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.835 0.854 . . . . 0.0 112.204 174.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.0 -49.03 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.747 0.819 . . . . 0.0 110.309 173.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.06 -44.13 78.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.882 1.273 . . . . 0.0 112.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -42.13 92.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.333 1.453 . . . . 0.0 111.971 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.83 -46.45 81.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.053 0.541 . . . . 0.0 111.651 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -64.82 -20.64 66.5 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.73 -47.32 75.7 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.442 1.474 . . . . 0.0 112.232 171.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.67 -35.29 74.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.498 0.719 . . . . 0.0 111.379 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.05 -3.21 12.27 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mm -113.62 -37.79 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.718 1.607 . . . . 0.0 109.967 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.59 -48.66 78.77 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.328 -0.857 . . . . 0.0 111.479 171.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -75.36 -30.33 60.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.653 0.781 . . . . 0.0 112.737 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.5 -59.29 4.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.429 1.092 . . . . 0.0 111.163 168.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.13 -42.76 91.4 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.4 1.08 . . . . 0.0 111.996 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 m -59.48 -43.54 93.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.932 0.893 . . . . 0.0 112.307 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -22.1 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.632 1.173 . . . . 0.0 113.432 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.2 t30 . . . . . 0 CA--C 1.55 0.95 0 C-N-CA 126.439 1.896 . . . . 0.0 113.736 175.117 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.707 ' OH ' HG22 ' A' ' 25' ' ' VAL . 45.4 p90 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.64 -36.94 85.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.546 1.539 . . . . 0.0 112.722 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -68.72 -42.1 78.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.001 0.921 . . . . 0.0 112.375 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -59.34 -40.58 86.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.971 0.805 . . . . 0.0 111.001 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' A' ' 18' ' ' TYR . 2.1 mp -55.5 -55.17 34.94 Favored 'General case' 0 N--CA 1.461 0.108 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 171.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -48.15 -52.34 21.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 168.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.04 5.81 0.85 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 17' ' ' LEU . 82.1 mt -118.06 -44.92 2.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.176 1.79 . . . . 0.0 111.657 169.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.13 -45.71 63.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.92 0.782 . . . . 0.0 111.285 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -35.33 79.76 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.438 -0.789 . . . . 0.0 112.85 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -58.65 -49.1 78.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.839 0.856 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.84 92.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -49.03 70.46 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -59.05 -33.0 70.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.539 1.136 . . . . 0.0 112.931 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.526 HD12 ' CD1' ' A' ' 10' ' ' LEU . 79.4 mt -83.66 -39.22 20.49 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.864 1.666 . . . . 0.0 112.273 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.58 ' CD1' HD22 ' A' ' 7' ' ' LEU . 3.9 m-85 -64.87 -41.65 95.48 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.337 0.398 . . . . 0.0 110.237 -175.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.87 -36.43 83.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.2 -50.24 74.79 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.139 0.975 . . . . 0.0 111.288 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 1.149 ' CB ' ' CZ ' ' A' ' 3' ' ' TYR . . . -69.68 -41.6 75.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.076 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t -54.66 -45.19 73.79 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.054 1.297 . . . . 0.0 112.681 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -64.27 -2.9 2.39 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.761 1.625 . . . . 0.0 115.266 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -125.65 -39.37 2.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.599 1.56 . . . . 0.0 113.247 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.7 t -83.63 -37.33 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.022 1.729 . . . . 0.0 111.741 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.78 1.47 54.49 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.085 1.594 . . . . 0.0 117.085 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.93 136.56 95.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 119.917 1.859 . . . . 0.0 112.268 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.53 -36.05 9.39 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.657 2.238 . . . . 0.0 113.59 -171.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.47 -23.42 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.548 1.067 . . . . 0.0 112.679 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -42.87 99.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 111.387 169.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.59 88.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.532 -0.73 . . . . 0.0 112.284 170.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -60.65 -36.51 78.86 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.934 -1.104 . . . . 0.0 112.995 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.083 0.553 . . . . 0.0 110.763 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -25.69 62.59 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.9 -35.06 77.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.229 1.412 . . . . 0.0 112.38 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -71.1 -43.75 67.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.974 0.51 . . . . 0.0 111.952 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -62.26 -23.53 66.74 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -57.76 -43.53 85.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.151 0.98 . . . . 0.0 112.356 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -42.31 99.05 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.085 0.554 . . . . 0.0 110.945 172.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -67.98 -9.52 46.17 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 tp -114.79 -33.16 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.081 1.753 . . . . 0.0 110.465 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.6 -51.83 66.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.041 0.936 . . . . 0.0 111.36 167.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -67.32 -31.25 71.41 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.464 0.706 . . . . 0.0 112.632 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.52 -52.9 60.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.383 1.073 . . . . 0.0 111.883 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.58 -43.6 84.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.652 1.181 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.9 m -61.14 -44.92 96.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.208 1.003 . . . . 0.0 111.98 172.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.17 -16.54 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.401 1.481 . . . . 0.0 113.585 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 t30 . . . . . 0 CA--C 1.549 0.907 0 C-N-CA 127.596 2.358 . . . . 0.0 113.192 178.781 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' B' ' 21' ' ' ALA . 51.0 p90 . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.502 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.75 -21.07 44.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.065 1.746 . . . . 0.0 114.884 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.7 ttt-85 -60.96 -40.15 92.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.023 0.829 . . . . 0.0 110.838 160.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -12.16 58.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.135 1.774 . . . . 0.0 114.725 170.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 4' ' ' LEU . 12.6 mt -95.42 -47.16 6.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.1 1.36 . . . . 0.0 111.539 171.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -47.89 62.32 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.477 1.511 . . . . 0.0 112.646 173.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -3.85 2.39 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 173.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -120.59 -42.53 2.53 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.245 1.818 . . . . 0.0 111.418 -177.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.59 -45.54 58.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.144 1.338 . . . . 0.0 111.393 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.49 62.34 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.443 -0.785 . . . . 0.0 112.575 174.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -45.6 80.0 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.325 -0.859 . . . . 0.0 111.38 168.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.1 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.045 0.938 . . . . 0.0 112.531 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 ttm -52.52 -45.1 66.14 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.88 1.218 . . . . 0.0 112.327 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -58.18 -29.42 65.62 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.704 1.602 . . . . 0.0 113.293 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.0 mt -93.36 -35.74 12.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.594 1.557 . . . . 0.0 111.432 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.523 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.4 m-85 -55.55 -48.94 73.93 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.423 0.556 . . . . 0.0 110.998 171.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -66.71 -34.28 77.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.67 -47.53 31.24 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.516 0.674 . . . . 0.0 111.746 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' B' ' 3' ' ' TYR . . . -58.61 -42.84 89.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.432 1.093 . . . . 0.0 111.734 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -53.09 -43.07 66.5 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.143 0.883 . . . . 0.0 113.292 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.45 63.85 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -106.01 -38.02 6.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.667 1.187 . . . . 0.0 113.637 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.31 -36.2 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.2 1.4 . . . . 0.0 111.564 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.23 7.59 72.46 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 116.427 1.331 . . . . 0.0 116.427 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -81.44 137.02 48.56 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 119.457 1.629 . . . . 0.0 112.453 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.81 -33.71 15.86 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.99 2.46 . . . . 0.0 113.17 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.23 -25.58 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.256 -0.903 . . . . 0.0 112.491 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.66 -43.08 94.76 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.537 172.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.61 89.36 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.416 -0.802 . . . . 0.0 112.334 172.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.75 -30.17 71.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.71 0.804 . . . . 0.0 113.104 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.1 mt -69.99 -40.52 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.391 0.541 . . . . 0.0 111.954 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -29.35 70.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 118.893 0.769 . . . . 0.0 112.255 173.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -40.26 78.14 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.632 -1.292 . . . . 0.0 113.571 171.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.51 -45.1 66.24 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.192 -0.942 . . . . 0.0 112.431 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -64.61 -12.3 44.08 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 0.0 112.63 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.85 -51.22 42.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.319 -1.488 . . . . 0.0 111.486 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.66 -35.48 76.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.033 0.533 . . . . 0.0 111.768 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.476 ' CE1' HG23 ' B' ' 33' ' ' ILE . 29.4 m170 -57.73 -22.52 47.04 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.174 -1.393 . . . . 0.0 114.288 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.45 -42.22 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.653 1.981 . . . . 0.0 111.146 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.69 -43.69 98.38 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.101 -1.0 . . . . 0.0 110.593 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -65.96 -32.25 73.64 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.437 0.695 . . . . 0.0 112.657 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -58.57 7.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.404 1.002 . . . . 0.0 111.617 172.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.31 -39.88 94.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.726 1.21 . . . . 0.0 111.385 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.18 -43.77 92.18 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.913 0.885 . . . . 0.0 112.431 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.15 -8.15 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 . . . . . 0 CA--C 1.552 1.033 0 C-N-CA 126.266 1.826 . . . . 0.0 113.169 172.654 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.479 1.024 0 CA-C-O 120.577 0.227 . . . . 0.0 111.047 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.1 -25.63 32.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.151 1.38 . . . . 0.0 113.708 167.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -48.71 55.31 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.117 0.967 . . . . 0.0 111.707 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.85 -40.27 66.36 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.29 0.95 . . . . 0.0 111.448 170.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -66.29 -51.66 55.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.401 1.08 . . . . 0.0 112.697 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.87 -49.19 20.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.323 1.849 . . . . 0.0 112.663 167.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -74.44 4.24 6.27 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.57 -41.41 5.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 111.672 162.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.523 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 7.9 mm-40 -69.28 -46.34 67.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.72 -36.02 77.88 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.013 -1.055 . . . . 0.0 111.571 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -57.93 -47.41 82.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.58 1.152 . . . . 0.0 111.836 170.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.816 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -58.15 -50.95 71.73 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.293 1.037 . . . . 0.0 111.395 173.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.29 -39.37 72.57 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.816 0.846 . . . . 0.0 113.055 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -54.82 -39.61 68.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.289 1.036 . . . . 0.0 113.194 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -85.78 -43.75 13.07 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 126.694 1.997 . . . . 0.0 111.421 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.58 -48.22 66.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.458 1.103 . . . . 0.0 111.603 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -28.04 62.4 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -62.88 -49.78 73.5 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.254 0.934 . . . . 0.0 110.675 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . . . -60.25 -35.89 76.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.167 0.987 . . . . 0.0 112.834 172.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -42.51 96.44 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.41 -0.806 . . . . 0.0 112.97 173.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.61 -35.48 80.3 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.468 -0.77 . . . . 0.0 112.866 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -77.61 -27.08 51.09 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t -143.82 -56.17 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 124.831 1.252 . . . . 0.0 112.273 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.68 38.5 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.5 0.96 . . . . 0.0 115.5 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 150.62 15.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 118.067 0.933 . . . . 0.0 113.056 173.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.07 -41.03 10.43 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.437 2.091 . . . . 0.0 113.111 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.95 -28.26 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.288 -0.883 . . . . 0.0 112.206 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -49.96 75.82 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.759 0.823 . . . . 0.0 110.232 169.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.29 84.4 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -64.45 -25.17 67.89 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.476 HG23 ' CE1' ' A' ' 40' ' ' HIS . 30.3 mt -76.41 -46.03 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 118.304 0.502 . . . . 0.0 112.112 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.9 mt -59.52 -27.75 66.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.892 0.877 . . . . 0.0 112.454 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.84 -38.92 79.78 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.167 1.787 . . . . 0.0 112.569 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -79.75 -47.87 14.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 111.442 171.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.62 -23.61 65.38 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.068 1.747 . . . . 0.0 114.239 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.2 -38.62 66.04 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.304 1.042 . . . . 0.0 112.586 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -79.31 -31.12 43.13 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.579 1.951 . . . . 0.0 111.427 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -43.67 -34.93 1.61 Allowed 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 126.899 2.08 . . . . 0.0 114.663 170.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.432 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 45.8 mm -74.62 -38.58 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 128.353 2.661 . . . . 0.0 111.665 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.24 -45.41 91.7 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.443 -0.785 . . . . 0.0 109.744 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -65.96 -32.74 74.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.3 tt -59.0 -52.14 67.05 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.482 1.037 . . . . 0.0 112.084 176.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.24 -40.1 96.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.841 0.856 . . . . 0.0 111.61 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -58.98 -31.28 68.62 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.077 0.951 . . . . 0.0 112.851 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -9.71 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 . . . . . 0 CA--C 1.552 1.025 0 C-N-CA 125.688 1.595 . . . . 0.0 114.519 175.298 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.775 ' CD1' ' HB2' ' B' ' 21' ' ' ALA . 59.1 m-85 . . . . . 0 N--CA 1.47 0.571 0 N-CA-C 112.306 0.484 . . . . 0.0 112.306 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -45.46 -29.7 1.19 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.217 2.207 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -67.47 -43.1 81.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.551 1.523 . . . . 0.0 113.325 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.04 -40.08 92.26 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.829 1.195 . . . . 0.0 111.565 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.837 HD22 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mt -68.74 -45.59 71.06 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.124 0.569 . . . . 0.0 111.91 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -55.16 -47.79 74.64 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.533 1.06 . . . . 0.0 112.226 171.44 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -70.63 9.8 0.59 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.861 1.664 . . . . 0.0 114.452 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.2 mt -125.05 -46.66 1.81 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.06 1.744 . . . . 0.0 112.041 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.53 ' OE2' ' OE2' ' B' ' 37' ' ' GLU . 3.0 mm-40 -71.39 -53.98 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.623 1.569 . . . . 0.0 110.878 -177.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.38 -38.33 83.56 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.18 -0.95 . . . . 0.0 112.748 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -34.91 78.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB2' ' CD2' ' B' ' 10' ' ' LEU . . . -75.19 -34.39 61.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.249 1.02 . . . . 0.0 113.203 172.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -30.06 61.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.192 0.905 . . . . 0.0 112.307 178.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -56.4 -51.47 68.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.573 1.149 . . . . 0.0 113.25 167.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.9 mt -70.43 -42.72 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.125 1.37 . . . . 0.0 111.76 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.29 -39.48 69.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.761 1.624 . . . . 0.0 111.86 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.02 -27.27 33.16 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.226 0.921 . . . . 0.0 112.801 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -71.59 -45.74 61.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.12 0.968 . . . . 0.0 111.809 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.08 73.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.921 0.888 . . . . 0.0 112.743 170.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.652 0.781 . . . . 0.0 112.222 173.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.21 -26.31 67.33 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -81.46 -38.48 26.32 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 171.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -138.29 -60.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.004 0.922 . . . . 0.0 112.74 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.03 53.0 28.92 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-N 118.683 0.674 . . . . 0.0 114.232 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.9 153.94 5.52 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.329 1.051 . . . . 0.0 113.161 172.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.16 -37.89 13.5 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.491 2.128 . . . . 0.0 112.981 -170.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -26.67 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.784 -0.573 . . . . 0.0 112.184 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.44 89.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.267 1.027 . . . . 0.0 110.481 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.85 76.63 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.55 -38.41 90.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.921 0.888 . . . . 0.0 112.457 172.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 ' CE1' ' B' ' 40' ' ' HIS . 68.4 mt -66.46 -39.84 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.399 1.08 . . . . 0.0 112.796 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -45.6 63.97 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.422 1.464 . . . . 0.0 110.522 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -41.2 81.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.453 1.501 . . . . 0.0 113.252 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.36 -44.86 95.48 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.627 -0.67 . . . . 0.0 111.782 171.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.549 ' OE2' ' ND1' ' B' ' 40' ' ' HIS . 24.0 mm-40 -71.79 -19.74 61.96 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.162 -0.962 . . . . 0.0 112.847 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.28 -50.76 64.51 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.838 -1.164 . . . . 0.0 112.217 170.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -38.43 82.01 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.853 -1.155 . . . . 0.0 111.675 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -65.21 -1.93 2.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 tp -108.95 -33.42 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.705 1.602 . . . . 0.0 111.187 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.27 -54.8 15.11 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.987 -0.446 . . . . 0.0 109.907 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CD2' HG21 ' B' ' 29' ' ' VAL . 28.9 m0 -58.13 -37.51 74.74 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.206 0.602 . . . . 0.0 112.463 176.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 8' ' ' TYR . 1.1 tt -47.29 -55.27 9.05 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.207 1.403 . . . . 0.0 112.966 -177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -89.01 -39.11 13.91 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 112.154 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.1 m -58.58 -19.04 34.87 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.608 1.163 . . . . 0.0 113.489 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' B' ' 27' ' ' ASP . 5.0 mt -54.19 -22.68 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.189 1.396 . . . . 0.0 113.857 168.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.553 1.094 0 C-N-CA 126.484 1.914 . . . . 0.0 113.618 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.466 0.342 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -37.16 2.53 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.86 2.064 . . . . 0.0 114.6 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -54.55 -45.11 73.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.406 1.912 . . . . 0.0 113.897 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -16.55 62.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.325 1.05 . . . . 0.0 113.49 177.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 10' ' ' LEU . 1.3 mp -96.44 -44.29 7.26 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.6 1.16 . . . . 0.0 111.745 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.93 -50.99 62.9 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.571 1.548 . . . . 0.0 111.994 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -74.03 5.63 4.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.581 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -106.19 -46.73 3.99 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 127.355 2.262 . . . . 0.0 108.558 169.373 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -77.79 -40.33 40.99 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.006 0.821 . . . . 0.0 110.086 -166.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -34.56 77.27 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.9 0.88 . . . . 0.0 112.253 170.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -51.36 54.71 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.955 1.302 . . . . 0.0 112.068 175.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.37 89.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.728 1.211 . . . . 0.0 111.968 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -54.53 -45.74 73.45 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.715 1.143 . . . . 0.0 112.465 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -53.23 -44.99 68.53 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.909 0.777 . . . . 0.0 112.308 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.7 mt -72.45 -44.49 62.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.33 1.052 . . . . 0.0 111.387 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.837 ' CE1' HD22 ' A' ' 7' ' ' LEU . 4.1 m-85 -54.05 -41.14 67.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.834 1.654 . . . . 0.0 112.052 175.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -80.85 -28.27 36.14 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -76.41 -51.34 12.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 122.371 1.081 . . . . 0.0 111.374 -177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.775 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -74.43 48.12 0.33 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.313 2.245 . . . . 0.0 113.927 175.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -109.67 -50.68 2.96 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.377 -0.827 . . . . 0.0 111.791 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.14 -35.03 79.83 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -76.34 -37.17 57.7 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.44 -43.8 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.528 0.604 . . . . 0.0 112.177 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.75 43.78 97.25 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 115.374 0.91 . . . . 0.0 115.374 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.429 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -115.11 137.95 23.23 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 118.501 1.15 . . . . 0.0 112.154 -178.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.98 -32.2 11.43 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.773 2.316 . . . . 0.0 112.504 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.667 HG21 ' CD2' ' A' ' 43' ' ' TRP . 8.9 p -64.41 -31.89 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 121.699 -0.626 . . . . 0.0 111.861 175.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -40.92 83.27 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.739 -1.226 . . . . 0.0 112.743 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.03 86.3 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.438 0.695 . . . . 0.0 112.676 172.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -61.59 -37.12 82.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.878 1.271 . . . . 0.0 112.379 174.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.454 HG21 ' CE1' ' B' ' 18' ' ' TYR . 44.3 mt -66.13 -35.99 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.262 1.425 . . . . 0.0 111.895 175.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -33.65 72.74 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.429 1.468 . . . . 0.0 112.947 172.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -43.84 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.985 1.314 . . . . 0.0 112.846 173.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.92 -47.17 75.65 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.381 -0.825 . . . . 0.0 112.161 176.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.53 ' OE2' ' OE2' ' A' ' 11' ' ' GLU . 31.4 mm-40 -67.69 -10.69 54.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.742 0.817 . . . . 0.0 112.946 176.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -73.33 -53.27 11.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.13 -0.981 . . . . 0.0 112.531 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -32.96 74.44 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.892 -1.13 . . . . 0.0 112.314 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.549 ' ND1' ' OE2' ' A' ' 37' ' ' GLU . 2.3 m170 -58.48 -1.31 0.13 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 130.343 3.457 . . . . 0.0 118.097 175.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -117.22 -26.08 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 120.451 1.478 . . . . 0.0 110.935 173.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.08 -55.5 8.09 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.79 0.836 . . . . 0.0 110.208 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -59.75 -34.06 72.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.873 0.869 . . . . 0.0 112.254 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tt -51.11 -51.04 57.36 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.004 1.722 . . . . 0.0 112.789 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -75.74 -32.23 59.91 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 50.5 m -55.18 -30.51 60.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.705 0.802 . . . . 0.0 112.731 172.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mm -57.44 -18.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 35.7 t30 . . . . . 0 CA--C 1.55 0.955 0 C-N-CA 125.911 1.684 . . . . 0.0 114.091 176.565 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.406 ' HE1' HG22 ' B' ' 25' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.552 1.026 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.55 -27.15 2.57 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 129.213 3.005 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.85 -44.82 82.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.681 0.673 . . . . 0.0 112.414 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -35.11 79.82 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.563 1.074 . . . . 0.0 112.151 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.65 -44.4 90.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.601 0.637 . . . . 0.0 112.033 172.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -52.62 -51.39 60.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.995 0.918 . . . . 0.0 111.867 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -67.6 1.2 2.54 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.51 -40.31 4.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.539 1.536 . . . . 0.0 111.753 168.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.55 -44.4 67.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.322 1.049 . . . . 0.0 112.117 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -31.19 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.162 -0.961 . . . . 0.0 112.3 173.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.13 -45.53 91.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.757 0.823 . . . . 0.0 111.561 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.71 94.44 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -40.54 72.79 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.054 -1.029 . . . . 0.0 113.671 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.47 -43.74 89.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.474 0.71 . . . . 0.0 112.547 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.21 -38.85 78.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.962 0.905 . . . . 0.0 111.527 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.557 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 20.0 m-85 -61.49 -38.26 86.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -76.29 -29.44 57.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.061 1.3 . . . . 0.0 113.057 174.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -65.53 -48.56 72.05 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.13 0.967 . . . . 0.0 111.125 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.76 -30.89 71.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.126 0.97 . . . . 0.0 113.1 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -64.88 -46.48 81.61 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.94 -1.1 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.39 -37.82 78.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.267 1.027 . . . . 0.0 112.179 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.472 HH11 ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -88.43 -29.18 20.39 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -175.741 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.48 -50.16 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.478 1.111 . . . . 0.0 112.254 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.47 35.08 91.23 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 115.257 0.863 . . . . 0.0 115.257 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.597 ' HB3' HD11 ' B' ' 47' ' ' ILE . 12.1 t70 -54.98 140.73 60.99 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.027 0.931 . . . . 0.0 111.559 174.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.34 -35.69 96.16 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.381 2.054 . . . . 0.0 115.086 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 1.036 ' CG2' ' CD2' ' B' ' 43' ' ' TRP . 2.5 p -71.9 -27.42 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 120.678 1.581 . . . . 0.0 112.069 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.33 -44.08 95.94 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.589 1.156 . . . . 0.0 111.331 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.12 89.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.467 0.707 . . . . 0.0 112.772 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.77 -35.45 80.65 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.442 -0.786 . . . . 0.0 112.833 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.722 HG12 ' CD2' ' B' ' 40' ' ' HIS . 37.2 mt -64.92 -53.74 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 117.911 0.323 . . . . 0.0 111.2 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.32 -20.99 66.25 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.8 -41.67 91.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.012 1.325 . . . . 0.0 112.733 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -71.25 -43.07 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.688 0.795 . . . . 0.0 111.352 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.63 -18.06 65.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.761 1.224 . . . . 0.0 113.87 -171.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.03 -46.77 32.75 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.064 -1.023 . . . . 0.0 113.515 168.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.1 -36.57 77.72 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.61 -1.306 . . . . 0.0 110.939 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.662 ' CE1' HG23 ' B' ' 33' ' ' ILE . 2.0 m-70 -54.69 -6.59 0.12 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.868 2.867 . . . . 0.0 117.236 167.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 tp -114.33 -35.45 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 120.587 1.54 . . . . 0.0 110.234 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -52.13 59.39 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.502 0.592 . . . . 0.0 110.999 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -61.02 -43.29 99.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.355 0.662 . . . . 0.0 111.594 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.3 -35.28 80.33 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.56 1.144 . . . . 0.0 112.84 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.38 -48.63 22.09 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.427 1.012 . . . . 0.0 111.871 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.8 m -54.13 -36.52 63.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.449 1.022 . . . . 0.0 112.138 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.252 13.4 mm -70.57 -3.16 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 . . . . . 0 CA--C 1.546 0.792 0 O-C-N 120.351 -1.468 . . . . 0.0 114.703 165.726 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.2 p90 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' B' ' 7' ' ' LEU . 3.4 pp -48.98 -26.77 2.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.33 2.252 . . . . 0.0 115.616 165.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.3 -47.34 50.68 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 121.649 2.022 . . . . 0.0 111.908 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -61.32 -40.6 94.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.036 0.835 . . . . 0.0 111.47 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 4' ' ' LEU . 73.8 mt -58.06 -53.73 54.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.419 0.688 . . . . 0.0 112.353 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.67 -50.23 60.79 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.992 0.814 . . . . 0.0 112.345 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -68.86 6.93 0.76 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 65.5 mt -115.57 -43.56 3.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.21 1.404 . . . . 0.0 111.835 164.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.557 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 6.1 mm-40 -67.83 -48.74 65.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.159 1.384 . . . . 0.0 111.922 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.99 -30.51 66.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 112.719 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -64.03 -41.67 97.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.577 0.751 . . . . 0.0 111.944 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.75 84.57 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.504 0.722 . . . . 0.0 112.004 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -54.87 -46.11 74.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.844 0.858 . . . . 0.0 113.295 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -54.24 -38.06 65.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.482 1.113 . . . . 0.0 112.914 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.15 -37.45 28.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.854 1.262 . . . . 0.0 111.424 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.39 -34.73 71.06 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.78 -26.84 44.51 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -75.03 -52.85 10.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.003 0.82 . . . . 0.0 112.526 -170.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.67 -1.61 25.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -57.49 -56.23 24.58 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.15 -32.04 72.6 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.406 0.683 . . . . 0.0 112.082 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -74.55 -34.93 63.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.882 1.273 . . . . 0.0 113.005 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.406 HG22 ' HE1' ' A' ' 3' ' ' TYR . 95.2 t -80.63 -52.27 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.785 0.834 . . . . 0.0 111.78 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.87 47.63 65.46 Favored Glycine 0 CA--C 1.541 1.665 0 N-CA-C 115.464 0.945 . . . . 0.0 115.464 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -130.05 150.18 75.26 Favored Pre-proline 0 N--CA 1.479 1.015 0 CA-C-N 118.711 1.256 . . . . 0.0 112.587 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.42 -34.52 3.43 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.825 2.35 . . . . 0.0 114.381 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -68.07 -24.94 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.9 1.227 . . . . 0.0 112.47 -178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.58 -45.26 83.95 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.808 1.243 . . . . 0.0 111.686 171.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.9 89.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.686 0.795 . . . . 0.0 112.61 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -64.12 -34.73 78.72 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.351 -0.843 . . . . 0.0 112.428 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.662 HG23 ' CE1' ' A' ' 40' ' ' HIS . 16.1 mt -67.72 -45.13 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.432 0.693 . . . . 0.0 112.778 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.84 -26.55 66.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.014 0.825 . . . . 0.0 112.916 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.9 -32.02 70.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.351 1.461 . . . . 0.0 113.323 172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -71.19 -41.86 69.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.37 1.068 . . . . 0.0 112.788 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.24 -23.32 66.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.219 -0.925 . . . . 0.0 112.536 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.9 -42.52 94.03 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.169 -0.957 . . . . 0.0 112.326 174.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.04 -46.67 77.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.71 0.404 . . . . 0.0 110.49 171.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.722 ' CD2' HG12 ' A' ' 33' ' ' ILE . 35.7 m170 -56.67 -44.19 81.15 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.525 -1.226 . . . . 0.0 113.63 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.449 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 1.2 tp -77.2 -32.08 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.733 2.413 . . . . 0.0 111.636 -173.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.73 -46.77 71.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.346 -0.846 . . . . 0.0 110.45 168.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 1.036 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 44.3 m0 -63.97 -29.64 70.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.678 0.791 . . . . 0.0 112.775 171.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.449 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 2.1 tt -57.88 -55.94 28.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.642 1.177 . . . . 0.0 112.443 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.58 -32.94 74.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.56 -0.713 . . . . 0.0 112.519 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -57.76 -28.97 64.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 170.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -67.54 -6.41 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 . . . . . 0 CA--C 1.544 0.731 0 C-N-CA 125.218 1.407 . . . . 0.0 114.476 173.5 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.658 ' CZ ' HG11 ' B' ' 25' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.471 0.61 0 CA-C-O 119.706 -0.188 . . . . 0.0 110.508 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -26.82 68.9 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.868 1.267 . . . . 0.0 113.107 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -73.75 -42.94 60.41 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.631 -1.293 . . . . 0.0 111.748 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.32 -41.08 88.24 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.279 165.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.926 HD22 ' CE1' ' B' ' 18' ' ' TYR . 76.3 mt -56.68 -51.62 68.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.007 1.276 . . . . 0.0 111.686 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.6 -51.76 52.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.635 0.731 . . . . 0.0 112.33 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.99 2.58 3.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.801 1.64 . . . . 0.0 115.303 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.6 ' CD1' HD12 ' B' ' 17' ' ' LEU . 75.8 mt -113.4 -40.78 3.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.196 1.798 . . . . 0.0 111.395 169.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.31 -44.18 72.24 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.27 1.028 . . . . 0.0 111.229 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -69.69 -34.72 74.33 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.184 -0.948 . . . . 0.0 112.989 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -44.22 97.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.713 0.805 . . . . 0.0 111.554 173.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.38 83.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.369 0.668 . . . . 0.0 111.592 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ttm -53.32 -39.09 63.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.281 1.032 . . . . 0.0 113.48 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -62.94 -39.13 93.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.469 HD12 HD12 ' B' ' 10' ' ' LEU . 64.0 mt -71.17 -41.16 70.72 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.1 0.96 . . . . 0.0 110.796 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.41 -7.71 27.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.254 1.422 . . . . 0.0 114.412 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -105.84 -7.18 18.42 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 167.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -119.14 -49.31 2.4 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.067 0.849 . . . . 0.0 112.416 -169.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -34.39 71.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.235 1.014 . . . . 0.0 111.966 169.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -58.45 -39.86 81.01 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.119 2.168 . . . . 0.0 114.083 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -71.43 -30.77 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.635 -0.666 . . . . 0.0 112.522 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.861 ' HB3' ' HE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -78.79 -29.14 44.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.581 1.153 . . . . 0.0 113.721 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.85 -35.26 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.89 1.276 . . . . 0.0 112.59 -170.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.09 8.0 72.86 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 116.521 1.368 . . . . 0.0 116.521 173.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.657 ' CB ' HD11 ' B' ' 47' ' ' ILE . 0.3 OUTLIER -64.43 134.85 96.12 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 119.381 1.591 . . . . 0.0 112.29 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.29 -38.08 5.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.173 1.915 . . . . 0.0 113.131 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' B' ' 43' ' ' TRP . 7.8 p -68.13 -30.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.399 1.0 . . . . 0.0 112.258 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -68.08 -46.65 70.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.965 1.306 . . . . 0.0 110.931 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.66 86.61 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.17 -41.27 90.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.922 1.289 . . . . 0.0 113.788 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.712 HG23 ' CE1' ' B' ' 40' ' ' HIS . 9.0 mt -58.85 -37.09 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -171.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.59 -21.64 64.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -171.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.77 -35.51 80.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.786 1.634 . . . . 0.0 112.787 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -66.93 -45.04 79.11 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.676 -0.64 . . . . 0.0 110.777 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.402 ' OE2' ' ND1' ' B' ' 40' ' ' HIS . 31.0 mm-40 -62.79 -31.94 73.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.369 -0.832 . . . . 0.0 112.336 177.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.12 -45.18 95.75 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.371 1.068 . . . . 0.0 111.657 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.415 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -61.9 -47.83 83.21 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.756 0.822 . . . . 0.0 111.582 171.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.643 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 43.4 m170 -55.45 -44.15 76.11 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.554 1.142 . . . . 0.0 113.545 -175.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 14.6 tt -85.1 -27.55 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 126.119 1.768 . . . . 0.0 111.974 -172.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.54 -46.85 86.51 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 110.46 164.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -63.99 -36.94 85.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.006 0.523 . . . . 0.0 112.253 170.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.7 tt -58.9 -50.56 73.57 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.984 0.811 . . . . 0.0 112.409 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -55.28 -45.7 76.16 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.988 0.915 . . . . 0.0 112.232 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.1 m -60.91 -42.92 99.03 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.705 0.802 . . . . 0.0 112.251 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.888 HD11 ' CG1' ' B' ' 29' ' ' VAL . 14.7 mt -61.61 -31.31 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.19 1.396 . . . . 0.0 114.366 174.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 . . . . . 0 CA--C 1.543 0.691 0 C-N-CA 126.071 1.748 . . . . 0.0 113.255 -178.521 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.861 ' HE2' ' HB3' ' A' ' 24' ' ' ARG . 1.8 m-30 . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.342 0.868 . . . . 0.0 113.342 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -20.43 61.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -173.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -68.58 -42.23 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.932 0.787 . . . . 0.0 110.188 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.55 -34.47 75.62 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.877 0.762 . . . . 0.0 112.569 172.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.79 -52.84 47.44 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.804 1.184 . . . . 0.0 111.902 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.79 -49.61 65.25 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.881 0.764 . . . . 0.0 112.846 176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -71.21 6.38 1.71 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.775 1.63 . . . . 0.0 114.99 177.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 17' ' ' LEU . 87.4 mt -116.0 -40.62 3.28 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.588 1.155 . . . . 0.0 112.271 163.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.08 -46.46 42.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.919 0.888 . . . . 0.0 112.636 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.47 -29.48 62.55 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.002 -1.061 . . . . 0.0 112.028 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -41.95 86.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.402 -0.811 . . . . 0.0 111.816 170.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.5 76.76 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.7 -38.84 64.65 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.834 -1.167 . . . . 0.0 113.754 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.96 -38.68 73.31 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.6 HD12 ' CD1' ' A' ' 10' ' ' LEU . 60.8 mt -78.29 -41.92 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 110.569 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . 0.926 ' CE1' HD22 ' A' ' 7' ' ' LEU . 21.4 m-85 -62.8 -30.32 71.38 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.501 1.121 . . . . 0.0 113.119 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.92 -27.77 28.33 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -88.26 -61.41 1.72 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.974 0.892 . . . . 0.0 111.705 -174.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 62.11 2.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.622 1.969 . . . . 0.0 111.297 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -133.63 -46.29 0.81 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.597 1.559 . . . . 0.0 111.175 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.9 -38.09 81.29 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -82.67 -36.31 26.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 174.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 0.658 HG11 ' CZ ' ' A' ' 3' ' ' TYR . 55.5 t -75.85 -45.09 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.929 0.892 . . . . 0.0 112.341 -173.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.43 -5.74 14.27 Favored Glycine 0 CA--C 1.541 1.699 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 168.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -66.25 138.98 96.18 Favored Pre-proline 0 CA--C 1.551 0.992 0 CA-C-N 120.111 1.956 . . . . 0.0 113.063 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.8 -29.92 9.95 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.196 2.597 . . . . 0.0 113.893 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.888 ' CG1' HD11 ' A' ' 47' ' ' ILE . 8.6 p -69.26 -23.31 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.129 -0.982 . . . . 0.0 112.964 178.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.41 -39.21 72.65 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.962 1.305 . . . . 0.0 111.743 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.83 92.64 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.797 -0.564 . . . . 0.0 112.465 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.56 -42.09 92.21 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.345 -0.847 . . . . 0.0 112.13 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.87 -57.06 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.418 1.087 . . . . 0.0 110.797 171.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.41 -28.29 68.51 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.65 -37.42 86.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.869 1.267 . . . . 0.0 112.474 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . 0.643 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 89.8 m-20 -69.96 -44.48 69.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.553 -0.717 . . . . 0.0 111.667 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.11 -20.71 66.16 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.49 -52.85 34.29 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.766 1.166 . . . . 0.0 111.914 168.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -56.23 -40.59 74.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.341 -0.85 . . . . 0.0 111.471 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.712 ' CE1' HG23 ' A' ' 33' ' ' ILE . 30.1 m170 -59.76 -20.78 58.76 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -98.82 -32.16 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.343 1.457 . . . . 0.0 110.676 -176.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.99 -45.87 80.06 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.62 -0.675 . . . . 0.0 110.574 168.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . 0.614 ' HE3' HD11 ' A' ' 33' ' ' ILE . 37.6 m0 -62.24 -31.82 72.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.628 0.771 . . . . 0.0 112.447 170.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.1 tt -61.19 -55.57 30.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.942 0.897 . . . . 0.0 112.475 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.15 -42.57 95.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.755 0.822 . . . . 0.0 111.121 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.9 m -58.63 -29.92 66.88 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.546 1.138 . . . . 0.0 113.081 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 27' ' ' ASP . 1.2 tp -64.25 -11.82 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 CA--C 1.548 0.893 0 C-N-CA 126.064 1.746 . . . . 0.0 113.934 -175.51 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 1.314 ' OH ' ' HB2' ' B' ' 24' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 111.377 0.14 . . . . 0.0 111.377 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.61 -21.26 14.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -61.12 -37.84 84.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.344 1.429 . . . . 0.0 112.118 172.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.29 -27.15 68.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.55 1.54 . . . . 0.0 113.615 172.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.8 mt -81.12 -45.97 15.64 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.689 0.796 . . . . 0.0 111.047 174.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.71 -50.11 66.61 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.72 1.208 . . . . 0.0 112.191 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -76.68 11.25 1.75 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.996 HD13 ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -103.23 -47.07 4.43 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.445 1.898 . . . . 0.0 108.999 161.478 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.73 -40.28 49.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.623 0.647 . . . . 0.0 110.65 -165.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.15 -39.25 86.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 112.198 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.97 -45.04 83.14 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.194 0.998 . . . . 0.0 113.0 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.44 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.514 0.726 . . . . 0.0 110.971 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.9 tpp -55.41 -47.74 75.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.352 1.061 . . . . 0.0 113.14 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.92 -37.35 14.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.815 1.246 . . . . 0.0 113.634 173.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -91.19 -48.29 7.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 111.167 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 1.035 ' CE1' HD22 ' B' ' 7' ' ' LEU . 10.0 m-85 -56.69 -42.45 79.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.325 1.05 . . . . 0.0 111.222 177.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -35.91 81.34 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.716 -0.615 . . . . 0.0 111.537 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 1.174 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 4.7 tp10 -69.69 -47.85 61.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.194 0.452 . . . . 0.0 110.38 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 1.557 ' HB2' ' CE2' ' B' ' 3' ' ' TYR . . . -59.52 -36.91 77.03 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.667 0.787 . . . . 0.0 112.386 175.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -59.12 -47.8 83.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.752 -1.217 . . . . 0.0 111.58 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.05 -1.41 12.1 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -21.43 7.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.052 1.741 . . . . 0.0 113.92 177.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -132.14 -31.03 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.022 1.329 . . . . 0.0 112.868 -170.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.6 16.7 77.72 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.745 1.458 . . . . 0.0 116.745 170.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.19 131.44 93.55 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 119.408 1.604 . . . . 0.0 112.517 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.09 -31.78 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.591 2.194 . . . . 0.0 113.121 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.74 -30.13 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.318 -0.864 . . . . 0.0 112.087 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -44.52 80.99 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.794 171.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.58 80.77 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.271 -0.893 . . . . 0.0 112.89 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -62.37 -40.09 95.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.216 1.006 . . . . 0.0 112.524 172.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.93 -40.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.381 1.072 . . . . 0.0 111.97 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.99 -40.63 94.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.113 0.869 . . . . 0.0 113.331 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.07 -36.56 79.96 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.19 1.396 . . . . 0.0 112.257 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.69 -53.13 24.08 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.725 0.81 . . . . 0.0 112.361 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.75 -27.5 68.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.098 0.863 . . . . 0.0 112.733 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.26 -51.15 67.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.671 1.188 . . . . 0.0 112.124 174.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.76 -41.05 83.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.441 1.896 . . . . 0.0 113.578 173.17 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.1 -35.08 70.92 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.557 1.143 . . . . 0.0 114.08 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 7.2 tt -82.46 -21.62 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 127.045 2.138 . . . . 0.0 111.442 -173.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.98 -49.54 44.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.514 -0.741 . . . . 0.0 109.828 163.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -58.29 -33.22 69.22 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 3.8 tt -56.6 -55.77 29.79 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.603 1.161 . . . . 0.0 113.096 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.57 -40.13 96.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.886 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -56.74 -22.43 35.44 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.604 1.161 . . . . 0.0 113.596 173.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.608 HD13 HG13 ' B' ' 29' ' ' VAL . 1.1 tp -68.32 -4.17 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 173.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.551 0.996 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 173.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 1.557 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 12.6 t80 . . . . . 0 N--CA 1.469 0.525 0 CA-C-O 121.59 0.709 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' B' ' 7' ' ' LEU . 2.8 pp -60.97 -22.65 64.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.065 1.746 . . . . 0.0 114.305 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -64.55 -41.97 95.98 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.791 -1.193 . . . . 0.0 112.335 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.47 -35.58 80.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.004 0.82 . . . . 0.0 112.012 172.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 1.035 HD22 ' CE1' ' A' ' 18' ' ' TYR . 73.7 mt -61.64 -51.2 69.44 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.342 0.657 . . . . 0.0 111.749 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.51 -52.49 54.3 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.078 0.854 . . . . 0.0 112.957 172.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -68.08 4.43 1.23 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.1 mt -107.71 -54.43 2.49 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.102 1.361 . . . . 0.0 111.483 161.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.679 ' HG3' ' OH ' ' A' ' 18' ' ' TYR . 4.4 mm-40 -66.92 -34.45 77.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.534 1.133 . . . . 0.0 112.233 -170.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.35 -34.72 31.61 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.958 -1.089 . . . . 0.0 113.463 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -55.08 -45.25 75.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.714 0.806 . . . . 0.0 110.313 167.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . 0.996 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -61.99 -48.49 80.12 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.234 1.014 . . . . 0.0 112.766 170.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 40.1 tpp -55.09 -41.03 71.08 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.886 1.221 . . . . 0.0 113.303 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.94 -34.11 76.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -81.61 -31.11 32.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 125.188 1.395 . . . . 0.0 112.216 176.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -65.95 -40.22 91.12 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 117.432 -1.27 . . . . 0.0 111.098 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.04 -22.62 64.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.905 1.684 . . . . 0.0 114.676 166.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.12 -63.82 1.33 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.441 1.096 . . . . 0.0 113.138 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -23.08 67.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -52.93 -42.72 65.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 112.737 170.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.19 -8.09 28.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.419 1.487 . . . . 0.0 114.451 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . 1.314 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . 2.2 mmm180 -125.35 -18.14 5.42 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.835 1.654 . . . . 0.0 114.255 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . 1.097 HG23 ' CE2' ' A' ' 3' ' ' TYR . 67.2 t -110.22 -39.88 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.169 1.388 . . . . 0.0 112.071 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.14 2.46 18.78 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.628 1.811 . . . . 0.0 117.628 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . 0.451 ' HB3' HD11 ' A' ' 47' ' ' ILE . 5.2 m-20 -66.4 143.69 98.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 CA-C-N 119.886 1.843 . . . . 0.0 112.86 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.08 -34.03 10.88 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.578 2.185 . . . . 0.0 113.274 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . 0.608 HG13 HD13 ' A' ' 47' ' ' ILE . 9.1 p -71.69 -26.26 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.181 -0.949 . . . . 0.0 112.844 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.75 -46.8 74.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.687 1.195 . . . . 0.0 110.542 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.83 77.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.569 0.748 . . . . 0.0 112.945 171.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -68.68 -28.4 66.83 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.075 -1.016 . . . . 0.0 113.499 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 61.6 mt -67.3 -55.74 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.459 173.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.4 -14.37 18.54 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.138 1.79 . . . . 0.0 114.986 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -75.89 -40.7 53.93 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.197 1.399 . . . . 0.0 113.603 167.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -76.96 -46.21 24.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.353 1.461 . . . . 0.0 112.01 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.02 -6.11 15.71 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 128.857 2.863 . . . . 0.0 112.347 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.27 -54.08 29.19 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.488 1.515 . . . . 0.0 111.673 164.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.22 -29.96 70.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.841 0.856 . . . . 0.0 111.783 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.16 -2.36 0.43 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.841 2.456 . . . . 0.0 116.299 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tp -116.52 -30.54 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 120.268 1.395 . . . . 0.0 112.045 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -73.74 -45.54 51.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 174.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.95 -27.77 69.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.772 0.829 . . . . 0.0 112.334 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -56.05 20.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.05 1.34 . . . . 0.0 111.902 172.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.56 -34.7 69.46 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.402 1.081 . . . . 0.0 112.068 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.8 m -65.42 -30.46 71.27 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 173.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.98 -4.78 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m120 . . . . . 0 CA--C 1.546 0.796 0 C-N-CA 126.13 1.772 . . . . 0.0 115.306 174.722 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -23.97 2.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.431 2.292 . . . . 0.0 114.431 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -84.2 -36.24 22.93 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 -166.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.309 0.644 . . . . 0.0 111.532 160.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.74 -51.8 66.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.367 0.985 . . . . 0.0 111.542 177.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -55.43 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.46 1.504 . . . . 0.0 113.375 166.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.84 -1.42 5.48 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.22 -40.6 5.13 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.624 1.57 . . . . 0.0 111.796 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.29 -42.49 62.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.426 1.09 . . . . 0.0 112.087 -175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.92 -36.34 80.0 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.372 -0.83 . . . . 0.0 111.874 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -44.31 97.28 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.71 -0.619 . . . . 0.0 111.964 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.514 0.726 . . . . 0.0 112.189 171.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -57.4 -45.19 84.79 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.258 -0.901 . . . . 0.0 113.216 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -51.49 -43.48 62.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.697 0.799 . . . . 0.0 112.398 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.93 -40.25 47.83 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.579 1.151 . . . . 0.0 112.086 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.76 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.648 -0.692 . . . . 0.0 111.072 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -67.25 -31.07 71.17 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.813 1.188 . . . . 0.0 113.642 174.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 1.2 tp10 -70.11 -48.29 58.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.131 0.878 . . . . 0.0 111.284 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB2' ' CE2' ' B' ' 3' ' ' TYR . . . -68.04 -26.14 65.72 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 t -63.77 -44.94 91.92 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.079 -1.013 . . . . 0.0 112.271 167.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.59 -38.45 91.15 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.616 -0.678 . . . . 0.0 112.023 172.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -66.81 -40.18 87.97 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.456 1.102 . . . . 0.0 113.592 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.3 t -140.74 -55.82 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.514 1.125 . . . . 0.0 111.929 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.58 -67.04 0.52 Allowed Glycine 0 N--CA 1.468 0.824 0 C-N-CA 125.199 1.381 . . . . 0.0 111.8 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 47.44 131.37 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 129.598 3.159 . . . . 0.0 116.436 -168.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.43 -40.31 4.39 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.717 1.611 . . . . 0.0 114.681 -163.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 p -77.91 -25.2 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.676 -0.64 . . . . 0.0 112.143 174.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.68 -44.08 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.679 1.192 . . . . 0.0 111.219 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.63 65.46 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.81 -31.54 40.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.942 1.297 . . . . 0.0 113.139 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' B' ' 40' ' ' HIS . 49.0 mt -63.29 -37.1 78.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 121.391 -0.818 . . . . 0.0 111.693 174.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.82 -42.1 71.45 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.273 0.942 . . . . 0.0 112.548 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.82 -40.29 91.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.134 1.374 . . . . 0.0 112.309 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -66.95 -47.11 72.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.577 0.751 . . . . 0.0 112.68 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' OE2' ' OE1' ' B' ' 11' ' ' GLU . 40.5 mm-40 -67.11 -18.69 65.43 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.282 -0.886 . . . . 0.0 112.747 176.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.53 -49.9 73.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.553 1.524 . . . . 0.0 111.696 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -57.59 -38.21 74.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.592 0.757 . . . . 0.0 111.396 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' HG23 ' B' ' 33' ' ' ILE . 28.6 m170 -63.23 -21.0 65.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -90.9 -40.49 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.758 1.623 . . . . 0.0 110.047 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -59.45 -45.83 90.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.614 0.766 . . . . 0.0 111.015 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.472 ' HE3' HD11 ' B' ' 33' ' ' ILE . 43.4 m0 -62.69 -34.46 77.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.455 0.702 . . . . 0.0 112.415 170.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -49.93 71.93 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.235 1.379 . . . . 0.0 114.494 -176.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.77 -40.14 79.07 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.448 1.099 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.9 m -63.58 -1.98 1.47 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 127.032 2.133 . . . . 0.0 114.406 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mm -106.91 -4.94 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.604 1.561 . . . . 0.0 112.6 -175.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 . . . . . 0 CA--C 1.546 0.791 0 C-N-CA 124.569 1.147 . . . . 0.0 114.063 173.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' TYR . . . . . 0.677 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 55.6 t80 . . . . . 0 N--CA 1.476 0.861 0 CA-C-O 120.78 0.324 . . . . 0.0 111.531 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.457 ' H ' HD12 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -60.22 -21.66 62.07 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.385 1.874 . . . . 0.0 113.597 -175.266 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.18 -39.17 81.7 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 126.902 2.081 . . . . 0.0 113.315 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.64 -41.01 84.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.788 0.722 . . . . 0.0 111.348 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.09 -41.18 99.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.765 0.712 . . . . 0.0 112.415 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -56.01 -54.15 48.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.457 0.703 . . . . 0.0 111.103 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -72.72 15.25 0.2 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.315 1.846 . . . . 0.0 114.75 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -119.94 -40.99 2.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.379 1.871 . . . . 0.0 110.812 165.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . 0.472 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 4.0 mm-40 -76.43 -43.82 38.54 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.383 1.073 . . . . 0.0 111.799 -178.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -71.22 -33.97 70.39 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.196 -0.94 . . . . 0.0 112.348 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.36 -46.56 89.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.452 0.701 . . . . 0.0 111.38 170.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.32 93.68 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.438 0.695 . . . . 0.0 112.203 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.86 -45.8 64.21 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.147 1.34 . . . . 0.0 112.757 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -56.24 -28.71 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.423 1.489 . . . . 0.0 113.55 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -100.27 -33.35 10.45 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 126.45 1.9 . . . . 0.0 112.1 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.02 -43.65 95.11 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.088 0.955 . . . . 0.0 110.247 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 172.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -67.86 -46.76 70.8 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.278 1.031 . . . . 0.0 111.778 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.98 84.73 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.716 1.206 . . . . 0.0 111.383 171.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -56.2 -43.32 78.39 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.168 -0.957 . . . . 0.0 112.347 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.35 2.91 0.75 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.415 1.886 . . . . 0.0 114.993 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.79 -39.61 1.1 Allowed 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.66 -1.275 . . . . 0.0 113.387 172.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 61.0 t -79.53 -36.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.0 1.32 . . . . 0.0 111.898 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.67 4.23 57.2 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 134.85 96.02 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.38 1.59 . . . . 0.0 112.04 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.61 -36.98 17.8 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.406 2.071 . . . . 0.0 112.454 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.95 -30.63 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.371 -0.831 . . . . 0.0 112.507 175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -39.31 86.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.279 1.031 . . . . 0.0 111.323 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.77 79.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.15 -33.68 76.34 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.168 -0.958 . . . . 0.0 113.358 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.636 HG23 ' CE1' ' A' ' 40' ' ' HIS . 57.4 mt -57.35 -32.52 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 118.378 0.535 . . . . 0.0 111.832 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.63 -34.75 71.52 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.821 -1.174 . . . . 0.0 114.064 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -44.17 85.69 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.419 1.008 . . . . 0.0 111.989 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.13 -51.8 59.09 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.732 -0.605 . . . . 0.0 111.159 176.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . 0.557 ' OE2' ' ND1' ' A' ' 40' ' ' HIS . 30.5 mm-40 -67.83 -17.9 64.66 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.77 -54.87 11.64 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.258 1.023 . . . . 0.0 111.569 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.6 -37.47 75.91 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.821 -0.549 . . . . 0.0 111.487 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 33' ' ' ILE . 23.5 m170 -62.32 -3.62 1.44 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -114.28 -34.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 120.874 1.67 . . . . 0.0 110.947 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.48 -51.21 61.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.496 0.589 . . . . 0.0 110.689 165.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -66.75 -34.79 78.62 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.37 -34.12 76.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.964 1.306 . . . . 0.0 113.183 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.22 -37.17 23.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.381 0.992 . . . . 0.0 112.385 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -57.63 -36.3 71.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.14 0.976 . . . . 0.0 112.363 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 tp -73.53 -4.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 CA--C 1.546 0.793 0 C-N-CA 125.754 1.622 . . . . 0.0 113.912 176.058 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.4 mtt . . . . . 0 N--CA 1.487 1.376 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -71.12 72.77 0.62 Allowed 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.216 1.807 . . . . 0.0 112.708 177.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -129.4 -56.48 1.15 Allowed 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.749 1.22 . . . . 0.0 111.416 -173.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.3 mt -78.64 -21.22 48.71 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 126.336 1.854 . . . . 0.0 114.218 -171.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -58.47 -36.7 74.12 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.305 1.042 . . . . 0.0 112.975 175.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.43 -27.15 66.81 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.865 1.266 . . . . 0.0 113.363 173.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -80.5 -44.54 18.99 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.85 0.86 . . . . 0.0 111.629 174.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.07 -50.91 60.61 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 125.743 1.617 . . . . 0.0 111.379 174.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.7 pttp -71.87 4.79 3.03 Favored 'General case' 0 N--CA 1.474 0.725 0 N-CA-C 115.456 1.65 . . . . 0.0 115.456 177.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.6 mt -110.54 -41.48 4.32 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.631 1.173 . . . . 0.0 111.824 164.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -66.18 -46.76 76.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.327 0.967 . . . . 0.0 111.556 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.19 -29.51 64.06 Favored 'General case' 0 CA--C 1.54 0.575 0 O-C-N 121.113 -0.992 . . . . 0.0 112.838 175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.81 -42.06 86.54 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.255 -0.903 . . . . 0.0 111.963 172.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.01 -42.93 96.98 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 122.971 0.508 . . . . 0.0 111.251 171.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.0 ttm -54.19 -44.99 72.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.638 0.775 . . . . 0.0 112.613 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.1 tmtt? -49.67 -33.59 16.15 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 127.416 2.287 . . . . 0.0 113.577 176.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.6 mt -96.43 -39.62 9.5 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 126.703 2.001 . . . . 0.0 111.51 -175.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.49 -33.2 71.04 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.67 0.788 . . . . 0.0 112.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -79.07 -20.61 48.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.751 1.22 . . . . 0.0 113.992 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -87.55 -51.47 5.89 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 124.743 1.217 . . . . 0.0 110.858 -176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.09 -23.04 67.05 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.075 1.35 . . . . 0.0 114.599 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 t -55.41 -49.81 71.4 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -169.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.46 -32.51 74.17 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 177.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -43.51 55.11 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 124.752 1.221 . . . . 0.0 111.716 179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 86.0 t -80.3 -38.73 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.643 0.777 . . . . 0.0 111.903 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.95 21.37 71.31 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.722 1.153 . . . . 0.0 115.864 172.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.41 135.23 20.73 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 119.074 1.437 . . . . 0.0 112.237 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -70.8 -30.01 18.1 Favored 'Trans proline' 0 CA--C 1.538 0.699 0 C-N-CA 122.94 2.427 . . . . 0.0 112.989 -178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -64.41 -30.66 50.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 O-C-N 121.409 -0.807 . . . . 0.0 112.197 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tt -61.46 -42.76 99.27 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 124.465 1.106 . . . . 0.0 111.473 173.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -35.23 77.77 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.195 0.813 . . . . 0.0 113.195 172.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -64.63 -34.02 77.3 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.099 -1.001 . . . . 0.0 112.451 171.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 42.3 mt -65.76 -47.51 85.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 O-C-N 121.651 -0.656 . . . . 0.0 112.542 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -65.01 -26.97 68.51 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 118.799 0.727 . . . . 0.0 112.894 177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.95 -44.46 84.95 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.137 1.375 . . . . 0.0 112.144 171.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.19 -36.66 77.54 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.996 0.918 . . . . 0.0 112.463 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -67.55 -12.01 59.37 Favored 'General case' 0 CA--C 1.548 0.887 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -68.22 -41.46 81.24 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.201 1.819 . . . . 0.0 112.617 173.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -57.99 -37.57 74.51 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 121.663 -0.648 . . . . 0.0 111.177 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -71.68 1.05 7.34 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.115 1.766 . . . . 0.0 115.385 177.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 41.9 mm -115.31 -39.25 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 125.988 1.715 . . . . 0.0 109.038 171.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -57.47 -57.35 13.06 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.95 0.796 . . . . 0.0 111.744 170.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 35.5 m0 -64.11 -39.25 93.64 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 123.572 0.749 . . . . 0.0 111.722 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 59.7 tp -66.21 -29.88 70.23 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.386 1.474 . . . . 0.0 112.759 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -73.72 -51.85 15.18 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.1 0.863 . . . . 0.0 111.846 167.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.5 m -57.36 -43.09 83.21 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.632 0.773 . . . . 0.0 112.713 -177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.07 -9.23 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.904 0 C-N-CA 123.835 0.854 . . . . 0.0 113.064 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -87.13 -8.51 56.91 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 125.268 1.427 . . . . 0.0 114.229 175.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.213 0 C-N-CA 125.534 1.54 . . . . 0.0 113.363 177.313 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 66.1 ttp . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -148.57 -7.06 0.4 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 115.259 1.577 . . . . 0.0 115.259 -175.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -54.27 -68.77 0.15 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.674 1.19 . . . . 0.0 112.022 -175.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.2 pp -62.26 -27.63 69.15 Favored 'General case' 0 C--O 1.223 -0.327 0 C-N-CA 124.952 1.301 . . . . 0.0 113.772 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.3 mmp_? -66.63 -42.45 86.74 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 120.043 1.292 . . . . 0.0 111.822 172.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -64.13 -35.55 81.14 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.964 1.256 . . . . 0.0 112.443 172.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 70.2 mt -65.67 -51.91 55.73 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 119.022 0.828 . . . . 0.0 111.597 173.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -53.11 -50.07 65.2 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.46 1.104 . . . . 0.0 111.627 174.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -71.82 2.54 5.29 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 89.8 mt -114.15 -39.55 3.88 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.452 1.101 . . . . 0.0 112.738 164.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -71.81 -43.92 64.81 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 119.428 1.013 . . . . 0.0 111.738 -178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -67.74 -35.25 78.39 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.124 0.874 . . . . 0.0 112.417 172.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -44.77 95.74 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 123.185 0.594 . . . . 0.0 111.765 174.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -46.71 80.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.237 0.615 . . . . 0.0 111.993 172.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 13.5 tpp -53.96 -46.15 71.53 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.051 1.34 . . . . 0.0 113.058 176.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -51.91 -42.97 63.16 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 118.624 0.647 . . . . 0.0 112.618 174.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 72.6 mt -76.84 -42.0 41.95 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.789 0.836 . . . . 0.0 111.395 -177.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.79 -43.78 90.55 Favored 'General case' 0 CA--C 1.535 0.387 0 O-C-N 123.371 0.419 . . . . 0.0 112.103 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 31.2 ptt180 -68.97 -32.72 72.5 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 174.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -71.15 -54.04 12.4 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-O 121.83 0.824 . . . . 0.0 112.214 -177.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.78 -21.18 66.72 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 114.627 1.343 . . . . 0.0 114.627 -171.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.9 t -52.08 -48.88 64.48 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -171.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.96 -10.94 54.71 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.691 1.367 . . . . 0.0 114.691 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttt85 -116.76 -28.48 6.34 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.059 1.344 . . . . 0.0 112.977 -178.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -77.6 -40.58 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 124.657 1.183 . . . . 0.0 111.166 170.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.57 35.95 75.67 Favored Glycine 0 CA--C 1.538 1.49 0 N-CA-C 115.621 1.009 . . . . 0.0 115.621 170.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -121.61 142.47 35.85 Favored Pre-proline 0 N--CA 1.476 0.85 0 CA-C-N 118.627 1.213 . . . . 0.0 112.042 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_endo -72.76 -27.54 14.76 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.835 2.357 . . . . 0.0 114.023 -173.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . 0.275 2.8 p -69.52 -21.21 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 CA-C-N 119.624 1.102 . . . . 0.0 112.932 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 4.1 mp -60.8 -41.99 96.72 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.51 -1.369 . . . . 0.0 112.529 167.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.46 -40.22 89.26 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 118.674 0.67 . . . . 0.0 111.9 175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.39 -38.15 79.79 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.166 0.987 . . . . 0.0 112.91 172.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 52.5 mt -63.35 -32.73 57.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.72 0.808 . . . . 0.0 112.72 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 66.6 mt -61.55 -41.04 96.78 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 119.403 1.001 . . . . 0.0 111.81 175.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -64.36 -38.7 91.95 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.7 1.2 . . . . 0.0 112.552 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.32 -50.34 70.41 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.809 -0.557 . . . . 0.0 112.095 172.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -68.6 -24.54 64.59 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 113.167 0.802 . . . . 0.0 113.167 -178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -58.86 -43.38 90.79 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 120.411 1.46 . . . . 0.0 112.406 171.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -62.19 -37.94 87.2 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.453 -0.779 . . . . 0.0 111.282 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -69.41 -6.89 33.03 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 50.3 mm -103.21 -37.49 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 125.912 1.685 . . . . 0.0 109.282 171.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.16 -47.41 79.98 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.12 -0.988 . . . . 0.0 111.845 174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.9 m0 -66.97 -27.22 67.27 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.908 1.283 . . . . 0.0 112.948 171.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.4 -54.74 43.29 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.325 1.05 . . . . 0.0 112.088 177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -68.65 -27.51 66.07 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.865 0.866 . . . . 0.0 112.562 176.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 54.9 m -63.27 -30.59 71.7 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 121.49 -0.756 . . . . 0.0 112.278 168.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.89 -5.21 4.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.072 1.508 . . . . 0.0 115.072 -179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -64.4 -15.77 61.12 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.628 1.571 . . . . 0.0 114.46 172.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.33 0 C-N-CA 126.247 1.879 . . . . 0.0 114.434 -179.27 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.8 mtp . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 118.39 -0.814 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.86 -50.23 71.74 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.59 1.541 . . . . 0.0 113.746 -171.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.515 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 1.6 t80 -172.89 -62.32 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.469 1.908 . . . . 0.0 110.08 175.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.6 -14.86 59.12 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 -160.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -66.42 -31.26 71.9 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 119.606 1.093 . . . . 0.0 112.687 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -63.46 -40.32 96.81 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.206 1.003 . . . . 0.0 112.532 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.803 HD23 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -65.95 -47.09 75.81 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.829 1.251 . . . . 0.0 111.641 176.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -51.9 50.0 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.369 1.068 . . . . 0.0 112.924 168.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 4.35 3.12 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 115.173 1.545 . . . . 0.0 115.173 175.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.741 HD13 ' HA ' ' B' ' 14' ' ' ALA . 73.8 mt -109.03 -42.5 4.42 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.32 1.448 . . . . 0.0 111.51 166.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.735 ' HG3' ' OH ' ' B' ' 18' ' ' TYR . 6.9 mm-40 -67.79 -46.73 71.13 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.801 0.841 . . . . 0.0 112.262 -176.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -71.98 -31.69 66.51 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.351 -0.843 . . . . 0.0 112.349 176.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.75 -43.52 97.86 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.566 0.747 . . . . 0.0 111.658 170.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.34 -45.83 86.1 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.305 0.642 . . . . 0.0 111.705 171.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.1 mtp -55.33 -42.95 74.48 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 179.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -53.97 -38.41 64.98 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.681 HD12 ' CD1' ' B' ' 10' ' ' LEU . 67.3 mt -85.21 -40.11 17.04 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 124.738 1.215 . . . . 0.0 111.274 -176.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -61.68 -40.23 94.24 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.687 0.795 . . . . 0.0 111.698 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.24 -32.27 66.56 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 119.224 0.92 . . . . 0.0 112.732 176.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -64.26 -52.28 59.47 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 118.831 0.741 . . . . 0.0 110.2 173.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.95 -44.79 82.92 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.571 1.149 . . . . 0.0 112.445 175.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.7 t -60.25 -47.92 83.93 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.43 -0.794 . . . . 0.0 112.224 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -40.38 93.68 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.592 0.757 . . . . 0.0 112.444 175.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 16.4 tpp180 -73.35 -32.16 64.37 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.242 1.417 . . . . 0.0 114.144 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.9 t -112.98 -34.21 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 124.172 0.989 . . . . 0.0 112.902 -167.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.36 2.16 78.37 Favored Glycine 0 CA--C 1.539 1.543 0 N-CA-C 116.72 1.448 . . . . 0.0 116.72 172.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.1 140.82 97.98 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.575 1.688 . . . . 0.0 112.267 176.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.99 -36.84 9.47 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.622 2.214 . . . . 0.0 113.33 -173.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 -27.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 121.149 -0.97 . . . . 0.0 112.768 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 mt -64.03 -37.29 86.89 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.328 -0.857 . . . . 0.0 112.039 170.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.09 -31.18 65.83 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 171.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -62.37 -36.86 83.59 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 121.035 -1.041 . . . . 0.0 112.822 173.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 64.4 mt -57.81 -41.6 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.825 0 CA-C-O 118.949 -0.548 . . . . 0.0 111.323 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.38 -40.38 96.27 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.46 1.027 . . . . 0.0 112.972 177.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.55 -40.7 97.68 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.215 1.006 . . . . 0.0 112.521 174.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -70.32 -52.07 25.43 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 124.088 0.955 . . . . 0.0 112.865 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -64.11 -26.43 68.54 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 121.469 -0.769 . . . . 0.0 112.265 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -61.42 -40.05 93.0 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 120.785 -1.197 . . . . 0.0 113.134 172.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -66.0 -39.87 90.65 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 119.589 1.086 . . . . 0.0 111.414 171.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.2 m170 -60.28 -36.83 78.74 Favored 'General case' 0 C--O 1.22 -0.482 0 N-CA-C 114.335 1.235 . . . . 0.0 114.335 -172.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.408 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 35.8 mm -75.54 -40.06 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 127.292 2.237 . . . . 0.0 110.347 179.223 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -61.3 -44.56 97.02 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.461 -0.775 . . . . 0.0 110.345 172.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.559 ' CG ' HG21 ' B' ' 29' ' ' VAL . 39.8 m0 -64.28 -35.54 81.18 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.902 0.881 . . . . 0.0 112.672 169.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.5 tt -57.05 -49.89 74.44 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.369 1.068 . . . . 0.0 111.794 176.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -72.41 -37.95 68.53 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.492 1.117 . . . . 0.0 112.622 178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.9 m -58.41 -40.49 82.58 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.962 0.905 . . . . 0.0 112.005 173.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.74 HD11 ' HB3' ' B' ' 27' ' ' ASP . 9.4 mm -59.51 -7.96 1.13 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 126.198 1.799 . . . . 0.0 114.717 171.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -121.46 -3.2 9.39 Favored 'General case' 0 CA--C 1.549 0.939 0 C-N-CA 126.598 1.959 . . . . 0.0 114.023 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.208 0 CA-C-O 118.26 -1.3 . . . . 0.0 113.75 179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 N--CA 1.486 1.369 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -67.41 152.34 45.85 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.241 0.617 . . . . 0.0 112.022 171.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 42.5 p90 -152.13 -38.16 0.11 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.463 1.105 . . . . 0.0 112.534 173.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 mt -41.23 -50.7 3.61 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 128.939 2.896 . . . . 0.0 113.306 175.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -62.82 -39.43 94.3 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.119 -0.988 . . . . 0.0 113.39 176.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -71.39 -27.45 63.34 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 119.38 0.991 . . . . 0.0 112.972 172.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 62.9 mt -62.7 -51.07 68.65 Favored 'General case' 0 C--N 1.345 0.382 0 CA-C-N 120.137 1.335 . . . . 0.0 110.108 167.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -54.05 -48.56 70.44 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.33 1.052 . . . . 0.0 112.057 175.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -75.96 9.19 2.56 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 115.009 1.485 . . . . 0.0 115.009 177.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.681 ' CD1' HD12 ' A' ' 17' ' ' LEU . 81.0 mt -114.98 -41.18 3.38 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.165 0.986 . . . . 0.0 112.192 162.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -73.72 -49.63 24.69 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-N 119.44 1.018 . . . . 0.0 111.424 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -68.54 -25.87 65.14 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 121.264 -0.897 . . . . 0.0 113.133 173.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -72.85 -42.45 63.73 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 121.402 -0.811 . . . . 0.0 112.516 174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.741 ' HA ' HD13 ' A' ' 10' ' ' LEU . . . -65.34 -39.69 92.7 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 121.725 -0.61 . . . . 0.0 112.063 171.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 30.7 tpp -51.33 -44.77 62.06 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.011 1.324 . . . . 0.0 113.77 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -54.35 -42.59 70.43 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.575 0.75 . . . . 0.0 112.224 178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.64 HD12 ' CD1' ' A' ' 10' ' ' LEU . 61.4 mt -79.36 -40.7 29.54 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 125.217 1.407 . . . . 0.0 111.487 -176.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.803 ' CD1' HD23 ' A' ' 7' ' ' LEU . 7.8 m-85 -56.57 -47.68 79.0 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.435 0.694 . . . . 0.0 110.797 173.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 -73.78 -31.04 63.09 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.76 -50.63 62.1 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-O 121.777 0.799 . . . . 0.0 110.962 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 1.515 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -65.77 -37.7 87.05 Favored 'General case' 0 CA--C 1.537 0.481 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.191 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 1.3 t -55.29 -40.42 71.02 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.055 1.298 . . . . 0.0 112.924 177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -64.13 -12.03 35.9 Favored 'General case' 0 CA--C 1.552 1.045 0 C-N-CA 125.449 1.5 . . . . 0.0 114.32 178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -125.73 -34.1 2.66 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 125.114 1.365 . . . . 0.0 113.825 -176.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.412 HG21 ' CE2' ' A' ' 3' ' ' TYR . 99.1 t -79.1 -37.53 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 C-N-CA 125.355 1.462 . . . . 0.0 111.015 175.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.56 -3.36 55.08 Favored Glycine 0 CA--C 1.538 1.528 0 N-CA-C 116.629 1.412 . . . . 0.0 116.629 171.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.74 ' HB3' HD11 ' A' ' 47' ' ' ILE . 1.7 m-20 -65.76 133.56 95.07 Favored Pre-proline 0 CA--C 1.549 0.922 0 CA-C-N 119.51 1.655 . . . . 0.0 112.412 179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -69.78 -28.76 24.75 Favored 'Trans proline' 0 C--N 1.351 0.685 0 C-N-CA 122.837 2.358 . . . . 0.0 113.332 -175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.579 HG12 HD11 ' A' ' 47' ' ' ILE . 9.4 p -64.69 -32.58 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.291 -0.881 . . . . 0.0 112.302 173.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.732 HD11 ' OH ' ' A' ' 3' ' ' TYR . 0.8 OUTLIER -66.06 -42.33 89.58 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.11 0.964 . . . . 0.0 111.036 174.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.28 87.07 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.492 0.717 . . . . 0.0 112.814 170.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -62.09 -36.26 81.15 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.005 -1.06 . . . . 0.0 112.856 175.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.9 mt -67.19 -39.98 84.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 O-C-N 121.75 -0.594 . . . . 0.0 112.026 177.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . 0.251 0.7 OUTLIER -67.02 -24.91 66.06 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 119.823 1.192 . . . . 0.0 112.649 178.323 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -69.53 -42.81 74.16 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.588 1.155 . . . . 0.0 113.128 166.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.59 -46.4 79.51 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.162 0.985 . . . . 0.0 113.12 176.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -68.25 -13.36 62.2 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 120.997 -1.064 . . . . 0.0 113.172 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.62 -46.21 73.17 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 120.867 -1.145 . . . . 0.0 111.598 170.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.54 -43.32 71.86 Favored 'General case' 0 N--CA 1.48 1.046 0 O-C-N 122.002 -0.436 . . . . 0.0 110.258 172.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -66.02 -11.95 51.73 Favored 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -107.91 -30.66 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 125.386 1.474 . . . . 0.0 110.351 178.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.82 -50.08 58.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.991 0.916 . . . . 0.0 110.873 169.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.2 m0 -59.04 -31.75 69.13 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.178 0.991 . . . . 0.0 112.612 171.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.61 -53.03 63.0 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.92 0.888 . . . . 0.0 112.076 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -60.45 -41.41 94.05 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.82 0.848 . . . . 0.0 112.048 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.3 m -59.56 -41.53 90.33 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.925 0.89 . . . . 0.0 112.678 174.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 tp -84.32 -4.9 9.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -74.14 -8.61 56.78 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 125.944 1.698 . . . . 0.0 113.779 175.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.133 0 CA-C-O 118.107 -1.385 . . . . 0.0 113.319 179.879 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt . . . . . 0 N--CA 1.489 1.52 0 CA-C-O 120.715 0.293 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -59.11 -23.12 61.83 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 116.743 2.127 . . . . 0.0 116.743 -166.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -56.68 -33.34 66.32 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.35 1.46 . . . . 0.0 114.324 -174.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 pp -59.57 -17.11 30.05 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.63 1.572 . . . . 0.0 115.232 -172.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 19.9 ptp180 -56.51 -38.89 72.42 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.606 -0.684 . . . . 0.0 112.594 169.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -67.55 -37.95 83.46 Favored 'General case' 0 N--CA 1.446 -0.64 0 C-N-CA 123.941 0.897 . . . . 0.0 110.914 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.497 HD22 ' CD2' ' B' ' 18' ' ' TYR . 18.9 mt -61.81 -47.61 84.33 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 118.59 0.632 . . . . 0.0 111.855 173.251 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.15 -50.36 64.72 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 124.173 0.989 . . . . 0.0 112.052 173.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -72.34 7.55 1.73 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 126.028 1.731 . . . . 0.0 114.409 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 71.6 mt -118.93 -41.01 2.8 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 125.703 1.601 . . . . 0.0 112.338 168.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -72.13 -47.63 49.7 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 119.639 1.109 . . . . 0.0 111.847 -176.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -64.82 -36.08 83.18 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.55 -0.719 . . . . 0.0 111.971 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm100 -62.11 -41.24 98.03 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.64 1.176 . . . . 0.0 112.59 174.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.28 -45.09 77.64 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 121.701 -0.624 . . . . 0.0 112.077 173.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.2 mtp -56.08 -38.57 70.86 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 113.78 1.029 . . . . 0.0 113.78 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -50.56 -34.99 27.73 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.985 1.714 . . . . 0.0 113.465 174.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.8 mt -97.12 -40.49 8.79 Favored 'General case' 0 CA--C 1.518 -0.265 0 C-N-CA 125.454 1.502 . . . . 0.0 111.72 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -55.29 -47.52 75.41 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.056 0.942 . . . . 0.0 110.767 175.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptp180 -66.57 -30.99 71.42 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.3 tt0 -73.97 -50.47 19.78 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.963 0.905 . . . . 0.0 111.35 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.83 -29.96 70.51 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.89 1.276 . . . . 0.0 113.417 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.0 t -50.63 -47.7 58.35 Favored 'General case' 0 N--CA 1.475 0.808 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -175.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -67.95 -32.41 72.83 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -82.87 -25.43 32.56 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.494 1.118 . . . . 0.0 113.826 177.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 94.1 t -97.95 -42.14 11.19 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 124.175 0.99 . . . . 0.0 112.059 -177.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.57 13.05 77.85 Favored Glycine 0 CA--C 1.539 1.542 0 N-CA-C 116.748 1.459 . . . . 0.0 116.748 170.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -86.81 139.8 33.09 Favored Pre-proline 0 CA--C 1.548 0.867 0 CA-C-N 119.506 1.653 . . . . 0.0 112.482 178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -70.84 -29.57 18.54 Favored 'Trans proline' 0 C--N 1.351 0.674 0 C-N-CA 123.017 2.478 . . . . 0.0 113.623 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p -65.55 -32.1 56.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 O-C-N 121.397 -0.814 . . . . 0.0 112.094 175.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -63.27 -44.15 95.92 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.219 -0.926 . . . . 0.0 111.519 172.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.97 95.64 Favored 'General case' 0 CA--C 1.545 0.777 0 O-C-N 121.597 -0.689 . . . . 0.0 112.518 172.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.44 -33.21 72.21 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.688 1.195 . . . . 0.0 113.107 175.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 65.2 mt -66.28 -32.92 60.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.305 0.642 . . . . 0.0 112.711 176.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 68.4 mt -60.12 -37.81 81.15 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.576 1.08 . . . . 0.0 112.193 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -63.74 -40.12 95.95 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.235 1.014 . . . . 0.0 112.478 173.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -66.22 -56.22 12.39 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 121.391 -0.818 . . . . 0.0 111.454 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -63.96 -26.76 68.73 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 -176.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.25 -53.57 56.12 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 119.259 0.936 . . . . 0.0 112.4 171.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -67.0 -34.29 77.43 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.141 -0.974 . . . . 0.0 112.611 175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -54.05 -41.21 67.86 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 119.654 1.116 . . . . 0.0 113.32 177.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.441 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 0.4 OUTLIER -86.17 -30.0 6.16 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 127.179 2.192 . . . . 0.0 110.974 -172.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -63.97 -47.07 81.86 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.244 -0.91 . . . . 0.0 110.4 165.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.414 ' CD2' HG21 ' B' ' 29' ' ' VAL . 26.6 m0 -64.1 -33.8 76.58 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.646 0.779 . . . . 0.0 112.417 171.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.441 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 2.3 tt -58.21 -51.31 70.29 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.725 1.148 . . . . 0.0 112.722 176.081 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -60.92 -43.29 98.81 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 123.397 0.679 . . . . 0.0 111.811 173.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.3 m -57.73 -34.27 69.33 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.706 0.802 . . . . 0.0 112.365 174.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 mp -64.95 -9.81 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.872 0 C-N-CA 125.799 1.64 . . . . 0.0 114.579 176.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -104.16 -8.65 19.27 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 125.953 1.701 . . . . 0.0 113.865 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.303 0 C-N-CA 125.861 1.696 . . . . 0.0 113.116 178.559 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mmt . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.335 0.112 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -143.02 122.73 13.34 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.668 1.187 . . . . 0.0 110.318 173.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 35.8 p90 -160.05 -39.58 0.05 Allowed 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 126.239 1.815 . . . . 0.0 110.798 -176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.54 -27.36 67.59 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -64.38 -43.05 95.7 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 120.993 -1.067 . . . . 0.0 112.052 171.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -67.43 -35.43 79.23 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 118.936 0.789 . . . . 0.0 111.579 175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.04 -51.56 69.1 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 119.469 1.031 . . . . 0.0 111.214 169.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -54.11 -51.7 63.37 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 118.714 0.688 . . . . 0.0 112.416 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 0.28 4.91 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 115.605 1.706 . . . . 0.0 115.605 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 82.2 mt -108.15 -39.19 5.56 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 124.585 1.154 . . . . 0.0 112.034 167.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -73.07 -37.89 66.63 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 119.52 1.055 . . . . 0.0 112.632 -177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -76.03 -28.46 57.74 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.06 0.944 . . . . 0.0 112.997 172.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 mm-40 -63.63 -49.61 72.59 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.815 -0.553 . . . . 0.0 110.255 168.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.09 46.09 0.13 Allowed 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 126.637 1.975 . . . . 0.0 113.21 171.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 33.2 tpp -149.65 -48.06 0.14 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 125.04 1.336 . . . . 0.0 112.101 177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -53.94 -44.71 70.9 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 118.876 0.762 . . . . 0.0 112.663 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.44 -35.85 18.04 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 124.305 1.042 . . . . 0.0 111.825 176.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.497 ' CD2' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.5 -46.42 86.74 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.109 0.964 . . . . 0.0 110.592 -175.121 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -68.73 -28.64 67.0 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 173.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -75.57 -56.16 4.97 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.209 1.004 . . . . 0.0 112.149 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.62 -20.88 66.53 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 114.351 1.241 . . . . 0.0 114.351 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -50.68 -46.47 58.69 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.808 1.243 . . . . 0.0 113.922 -179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -64.71 -35.31 80.64 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtt180 -76.08 -42.05 48.56 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.677 0.791 . . . . 0.0 112.76 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.6 t -74.0 -37.29 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 118.427 0.558 . . . . 0.0 111.904 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.69 -13.85 39.88 Favored Glycine 0 CA--C 1.537 1.453 0 C-N-CA 125.13 1.348 . . . . 0.0 116.259 167.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -64.92 127.18 92.47 Favored Pre-proline 0 CA--C 1.549 0.913 0 CA-C-N 119.345 1.573 . . . . 0.0 111.522 175.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -69.67 -31.84 20.15 Favored 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 122.602 2.201 . . . . 0.0 113.425 -171.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 43' ' ' TRP . 8.4 p -60.44 -28.01 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.876 0.871 . . . . 0.0 113.052 176.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 tt -61.22 -40.18 93.03 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.258 1.023 . . . . 0.0 111.539 175.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.71 -35.46 78.83 Favored 'General case' 0 CA--C 1.545 0.76 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 171.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -65.93 -30.54 71.14 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.998 0.919 . . . . 0.0 113.28 177.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.35 -30.76 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 O-C-N 121.745 -0.597 . . . . 0.0 112.062 173.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.54 -35.12 78.41 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.07 -1.019 . . . . 0.0 112.113 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -63.95 -45.94 86.94 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.964 1.306 . . . . 0.0 111.972 170.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -61.46 -52.76 63.2 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.619 0.768 . . . . 0.0 111.976 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -66.29 -28.21 68.52 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 121.313 -0.867 . . . . 0.0 112.573 -178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -64.66 -45.97 84.49 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.044 -1.035 . . . . 0.0 111.846 171.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.7 -45.67 93.33 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 171.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -56.55 -37.49 70.59 Favored 'General case' 0 C--O 1.223 -0.314 0 N-CA-C 114.167 1.173 . . . . 0.0 114.167 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.499 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 15.8 tt -88.44 -26.17 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 126.261 1.824 . . . . 0.0 111.955 -173.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -65.86 -45.38 82.32 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 121.316 -0.865 . . . . 0.0 110.532 162.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 35.2 m0 -63.66 -32.82 74.41 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.499 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 3.0 tt -55.7 -55.61 30.22 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.231 1.012 . . . . 0.0 113.055 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -62.53 -29.08 70.3 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.271 1.028 . . . . 0.0 113.469 -179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.64 -16.19 46.39 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 126.041 1.737 . . . . 0.0 114.664 177.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 26.7 mm -92.96 -5.43 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 126.867 2.067 . . . . 0.0 112.783 -171.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -70.99 3.37 3.42 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 127.101 2.16 . . . . 0.0 114.789 -175.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.217 0 C-N-CA 126.352 1.93 . . . . 0.0 112.374 -179.677 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.535 0.207 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.9 t0 53.22 51.39 15.68 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.673 1.989 . . . . 0.0 114.56 173.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.97 ' CE2' HG21 ' B' ' 25' ' ' VAL . 2.6 t80 -145.64 -63.37 0.33 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.349 1.46 . . . . 0.0 110.832 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.51 -27.18 67.41 Favored 'General case' 0 C--O 1.22 -0.469 0 C-N-CA 123.511 0.724 . . . . 0.0 112.789 -178.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 mtt85 -58.69 -47.9 82.96 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 119.109 0.868 . . . . 0.0 111.012 175.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.445 ' OE2' ' CD2' ' B' ' 17' ' ' LEU . 0.1 OUTLIER -60.24 -19.28 53.88 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 125.311 1.444 . . . . 0.0 113.478 173.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.577 HD13 ' CE1' ' B' ' 18' ' ' TYR . 21.9 mt -91.59 -44.85 8.81 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.67 0.788 . . . . 0.0 112.257 172.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -53.58 -51.52 62.7 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.46 -1.4 . . . . 0.0 112.365 173.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.68 -0.96 2.37 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 115.227 1.566 . . . . 0.0 115.227 172.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.189 ' CD1' ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -103.74 -50.13 3.49 Favored 'General case' 0 C--O 1.22 -0.487 0 C-N-CA 127.163 2.185 . . . . 0.0 108.517 175.252 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -81.85 -37.53 26.84 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 119.157 0.89 . . . . 0.0 110.808 -166.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.14 -28.42 65.35 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.547 1.139 . . . . 0.0 112.822 169.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -72.18 -51.5 20.92 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.216 1.007 . . . . 0.0 110.711 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 1.131 ' HB2' ' CD1' ' B' ' 10' ' ' LEU . . . -68.74 52.03 0.08 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 129.079 2.951 . . . . 0.0 112.978 171.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 39.2 tpp -160.62 -53.1 0.05 Allowed 'General case' 0 C--O 1.222 -0.367 0 C-N-CA 126.348 1.859 . . . . 0.0 108.324 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.8 ttmt -56.82 -43.8 81.38 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 120.057 1.298 . . . . 0.0 112.173 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 -36.06 22.23 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.73 0.812 . . . . 0.0 111.086 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.622 ' CE1' HD13 ' B' ' 7' ' ' LEU . 0.8 OUTLIER -58.9 -50.51 73.76 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.365 0.416 . . . . 0.0 110.436 177.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.81 -15.82 63.81 Favored 'General case' 0 N--CA 1.479 0.98 0 N-CA-C 114.617 1.34 . . . . 0.0 114.617 175.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -85.31 -59.19 2.4 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.743 1.217 . . . . 0.0 111.267 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 1.532 ' HB3' ' CZ ' ' B' ' 3' ' ' TYR . . . -61.2 -37.46 83.07 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 123.044 0.538 . . . . 0.0 112.053 178.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -53.92 -40.67 66.93 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 172.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.6 tt0 -59.62 -42.14 92.02 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.197 0.999 . . . . 0.0 112.637 177.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -74.88 -40.72 60.79 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.703 1.201 . . . . 0.0 112.35 175.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 21' ' ' ALA . 79.5 t -65.48 -49.64 77.03 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.25 1.42 . . . . 0.0 111.863 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.26 44.52 34.49 Favored Glycine 0 CA--C 1.539 1.534 0 C-N-CA 124.594 1.092 . . . . 0.0 114.568 -177.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -108.8 136.49 20.0 Favored Pre-proline 0 N--CA 1.478 0.937 0 CA-C-N 118.77 1.285 . . . . 0.0 112.22 178.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.86 -40.95 2.36 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 122.72 2.28 . . . . 0.0 112.001 -176.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.5 p -65.32 -31.67 54.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.525 0 C-N-CA 123.365 0.666 . . . . 0.0 112.2 176.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.757 ' CD1' HG12 ' B' ' 47' ' ' ILE . 0.6 OUTLIER -70.82 -39.99 72.71 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.762 0.825 . . . . 0.0 111.415 176.644 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.36 -36.35 83.84 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.418 -0.801 . . . . 0.0 111.958 168.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 tptm -66.53 -34.07 77.09 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 120.919 -1.113 . . . . 0.0 113.125 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.576 HG12 ' CD2' ' B' ' 40' ' ' HIS . 14.7 mt -59.36 -47.41 90.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 O-C-N 121.056 -1.028 . . . . 0.0 111.628 173.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.88 -34.18 72.82 Favored 'General case' 0 CA--C 1.55 0.964 0 CA-C-N 118.898 0.772 . . . . 0.0 111.253 174.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -40.99 93.85 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 120.409 -1.432 . . . . 0.0 112.713 176.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.45 ' HB2' ' HE2' ' B' ' 40' ' ' HIS . 0.9 OUTLIER -68.59 -33.45 74.07 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 121.139 -0.975 . . . . 0.0 112.903 171.656 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.657 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 21.6 mm-40 -67.77 6.26 0.7 Allowed 'General case' 0 CA--C 1.567 1.607 0 N-CA-C 115.38 1.622 . . . . 0.0 115.38 174.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.422 ' O ' HG22 ' A' ' 41' ' ' ILE . 3.6 mm-40 -98.99 -49.92 4.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 128.272 2.629 . . . . 0.0 108.546 -178.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 mptt -57.15 -35.07 69.07 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.776 -1.202 . . . . 0.0 111.81 170.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -60.77 -4.42 0.97 Allowed 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 128.017 2.527 . . . . 0.0 117.712 171.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 38' ' ' GLU . 0.6 OUTLIER -121.54 -26.62 2.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 121.292 1.86 . . . . 0.0 111.507 176.541 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -71.68 -50.14 33.14 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.495 1.118 . . . . 0.0 111.119 177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -71.81 -26.86 62.57 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.693 0.797 . . . . 0.0 112.751 173.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 7' ' ' LEU . 1.4 tt -55.46 -55.93 26.04 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.269 1.427 . . . . 0.0 112.687 176.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -39.31 93.36 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.595 -0.69 . . . . 0.0 111.442 175.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.8 m -59.44 -24.93 63.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.921 0.888 . . . . 0.0 112.759 173.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -9.34 11.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 C-N-CA 125.466 1.506 . . . . 0.0 114.043 175.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -71.6 -8.43 53.98 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 125.96 1.704 . . . . 0.0 113.483 173.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.175 0 CA-C-O 117.51 -1.717 . . . . 0.0 113.846 -178.602 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.747 0.308 . . . . 0.0 110.685 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -173.25 -56.49 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.107 1.763 . . . . 0.0 110.549 -175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 1.532 ' CZ ' ' HB3' ' A' ' 21' ' ' ALA . 7.3 t80 -67.41 -58.15 5.28 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 124.193 0.997 . . . . 0.0 111.273 176.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -30.24 71.07 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.284 0.634 . . . . 0.0 112.508 -177.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 23.5 mmt-85 -60.93 -50.08 74.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.755 1.222 . . . . 0.0 110.905 174.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.47 -14.6 5.19 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.851 1.26 . . . . 0.0 114.042 172.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.719 ' HA ' HD23 ' B' ' 10' ' ' LEU . 23.2 mt -96.88 -46.47 6.22 Favored 'General case' 0 C--O 1.221 -0.432 0 C-N-CA 124.096 0.958 . . . . 0.0 112.42 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.501 ' CD2' HD13 ' B' ' 44' ' ' LEU . 1.0 OUTLIER -50.82 -50.22 56.96 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 120.536 -1.353 . . . . 0.0 113.071 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.98 17.23 0.45 Allowed 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.699 1.6 . . . . 0.0 114.239 173.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 1.131 ' CD1' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -122.34 -44.11 2.27 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 127.665 2.386 . . . . 0.0 108.967 173.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -78.42 -50.37 11.81 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.708 1.203 . . . . 0.0 110.476 -175.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -68.88 -24.05 64.29 Favored 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 124.124 0.97 . . . . 0.0 112.541 171.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -71.92 -46.47 57.53 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 120.601 -1.312 . . . . 0.0 111.787 174.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 1.189 ' HB2' ' CD1' ' A' ' 10' ' ' LEU . . . -68.4 -33.5 74.34 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 113.076 0.769 . . . . 0.0 113.076 171.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -51.08 -41.01 59.68 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.781 0.832 . . . . 0.0 112.683 175.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -56.61 -48.38 77.58 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.924 0.89 . . . . 0.0 112.658 173.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.445 ' CD2' ' OE2' ' A' ' 6' ' ' GLU . 10.1 mt -67.63 -38.38 83.81 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.023 0.929 . . . . 0.0 110.873 179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.577 ' CE1' HD13 ' A' ' 7' ' ' LEU . 6.2 m-85 -62.07 -31.85 72.32 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.295 1.438 . . . . 0.0 113.824 176.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -88.57 -24.85 22.76 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 123.311 0.644 . . . . 0.0 112.526 175.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -79.16 -60.51 2.34 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.355 1.062 . . . . 0.0 111.441 -176.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.91 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . . . -84.77 63.17 7.85 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.21 1.404 . . . . 0.0 111.042 174.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -124.8 -50.7 1.71 Allowed 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 124.741 1.216 . . . . 0.0 111.033 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.85 -32.08 72.35 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.835 1.254 . . . . 0.0 112.252 175.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.04 -42.73 69.11 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.416 1.486 . . . . 0.0 113.203 173.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.97 HG21 ' CE2' ' A' ' 3' ' ' TYR . 41.7 t -75.11 -47.27 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.083 0.953 . . . . 0.0 111.773 -178.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.58 42.15 48.67 Favored Glycine 0 CA--C 1.539 1.567 0 N-CA-C 114.538 0.575 . . . . 0.0 114.538 178.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.3 137.1 19.82 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 118.355 1.078 . . . . 0.0 111.549 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -75.67 -42.08 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 122.951 2.434 . . . . 0.0 112.137 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 14.5 p -64.17 -23.82 34.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.211 1.004 . . . . 0.0 112.95 176.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.542 HD11 ' OH ' ' A' ' 3' ' ' TYR . 1.7 tt -59.63 -41.9 91.49 Favored 'General case' 0 CA--C 1.544 0.718 0 O-C-N 120.768 -1.208 . . . . 0.0 112.129 172.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.49 -28.46 69.68 Favored 'General case' 0 CA--C 1.55 0.944 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 173.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 30.6 tttt -78.95 -34.66 44.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 125.324 1.45 . . . . 0.0 112.821 171.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 18.2 mt -61.47 -45.73 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.578 0 C-N-CA 124.421 1.088 . . . . 0.0 111.216 178.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.28 -31.57 71.4 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 122.813 0.445 . . . . 0.0 111.841 174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.47 -40.64 70.13 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 125.638 1.575 . . . . 0.0 112.903 175.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -65.57 -34.73 78.93 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 120.658 -1.276 . . . . 0.0 112.179 170.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -67.21 -7.87 27.19 Favored 'General case' 0 CA--C 1.557 1.235 0 N-CA-C 113.856 1.058 . . . . 0.0 113.856 168.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.96 -49.5 17.54 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 120.097 -1.627 . . . . 0.0 112.255 174.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.52 -36.04 68.75 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 121.2 -0.938 . . . . 0.0 111.547 174.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.576 ' CD2' HG12 ' A' ' 33' ' ' ILE . 17.7 m170 -64.19 -4.3 3.52 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 128.136 2.574 . . . . 0.0 117.347 175.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -120.75 -31.19 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 CA-C-N 120.043 1.292 . . . . 0.0 111.384 176.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -66.23 -50.6 63.22 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 121.405 -0.809 . . . . 0.0 111.412 171.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 36.0 m0 -67.35 -27.42 67.11 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 175.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.501 HD13 ' CD2' ' B' ' 8' ' ' TYR . 0.3 OUTLIER -59.64 -55.4 34.87 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.585 1.154 . . . . 0.0 112.915 177.647 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -61.81 -39.94 93.51 Favored 'General case' 0 N--CA 1.474 0.742 0 O-C-N 121.376 -0.827 . . . . 0.0 111.416 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 21.1 m -59.3 -21.61 59.97 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.248 1.019 . . . . 0.0 113.017 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.757 HG12 ' CD1' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -69.78 -12.38 16.0 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.702 0 C-N-CA 125.262 1.425 . . . . 0.0 114.344 175.176 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 37.7 t30 -82.05 -76.86 0.24 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 125.489 1.516 . . . . 0.0 112.606 175.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.158 0 C-N-CA 125.972 1.749 . . . . 0.0 113.065 -169.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . 0.657 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ttt . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 118.855 -0.593 . . . . 0.0 110.413 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -62.43 -27.43 69.1 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -71.14 -2.43 15.74 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.958 1.703 . . . . 0.0 115.191 -176.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -54.97 -26.91 39.84 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 117.682 2.475 . . . . 0.0 117.682 -159.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -58.88 -38.8 79.64 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.054 1.297 . . . . 0.0 112.608 175.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.31 -25.79 64.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.163 0.985 . . . . 0.0 112.802 176.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.518 HD21 ' HB3' ' B' ' 17' ' ' LEU . 51.2 mt -76.78 -48.29 19.07 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 123.948 0.899 . . . . 0.0 110.821 172.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.43 -46.88 76.66 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.831 1.253 . . . . 0.0 112.264 174.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -75.18 7.68 3.2 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.408 1.483 . . . . 0.0 114.456 176.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 66.2 mt -114.65 -43.62 3.14 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.043 0.937 . . . . 0.0 112.473 161.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -75.3 -37.27 60.91 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.339 1.427 . . . . 0.0 113.082 -171.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -78.01 -33.22 51.28 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.566 -1.333 . . . . 0.0 112.41 172.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -59.45 -42.01 90.98 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.218 1.007 . . . . 0.0 111.522 170.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.889 ' CB ' HD21 ' B' ' 10' ' ' LEU . . . -60.18 -50.9 71.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.617 1.167 . . . . 0.0 112.11 169.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.4 ttm -54.52 -42.37 70.77 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -176.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -54.03 -38.47 65.21 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 175.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 65.4 mt -86.93 -40.64 14.63 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 125.232 1.413 . . . . 0.0 111.407 -177.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -58.25 -39.86 80.28 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.482 1.113 . . . . 0.0 111.523 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -77.24 -25.85 51.99 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -71.35 -54.11 11.86 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 122.172 0.986 . . . . 0.0 110.562 173.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.23 40.48 0.35 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 126.517 1.927 . . . . 0.0 113.551 175.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 t -110.7 -54.12 2.62 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.251 1.021 . . . . 0.0 109.833 171.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.56 -37.59 84.38 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.086 0.955 . . . . 0.0 112.884 175.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -73.61 -18.41 61.05 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.53 1.308 . . . . 0.0 114.53 175.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 54.3 t -113.56 -39.08 2.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 118.969 0.804 . . . . 0.0 112.612 -168.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.37 -8.17 20.09 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 167.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -63.99 129.74 94.09 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.676 1.738 . . . . 0.0 112.252 178.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -71.72 -26.7 19.08 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.767 2.311 . . . . 0.0 113.412 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG22 ' CE3' ' B' ' 43' ' ' TRP . 9.4 p -66.93 -30.08 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 O-C-N 121.05 -1.031 . . . . 0.0 112.482 174.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.29 -40.75 95.31 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 124.397 1.079 . . . . 0.0 111.39 171.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.3 79.6 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.226 -0.921 . . . . 0.0 112.919 173.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm -68.81 -34.05 74.86 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 121.168 -0.957 . . . . 0.0 113.503 172.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.552 HG12 ' CD2' ' B' ' 40' ' ' HIS . 47.4 mt -57.39 -41.72 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.995 0 CA-C-O 118.113 -0.946 . . . . 0.0 111.656 165.673 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 70.2 mt -58.74 -40.98 85.4 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 120.501 1.501 . . . . 0.0 112.949 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -68.59 -37.69 80.02 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.986 1.314 . . . . 0.0 113.036 177.226 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -68.34 -50.04 56.08 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.21 1.004 . . . . 0.0 112.258 175.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.598 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 27.1 mm-40 -66.81 -29.65 69.65 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.204 -0.935 . . . . 0.0 111.421 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.82 -48.3 82.42 Favored 'General case' 0 N--CA 1.477 0.924 0 CA-C-N 120.006 1.275 . . . . 0.0 112.366 169.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 48.2 mttt -55.73 -42.81 75.87 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.631 0.772 . . . . 0.0 112.057 171.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.556 ' CE1' HG23 ' B' ' 33' ' ' ILE . 37.4 m170 -60.03 -34.57 73.56 Favored 'General case' 0 C--O 1.22 -0.447 0 CA-C-O 116.869 -1.538 . . . . 0.0 114.485 -178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.444 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 49.9 mm -74.58 -39.79 47.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 C-N-CA 126.561 1.944 . . . . 0.0 110.661 177.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -61.08 -43.66 98.55 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 121.39 -0.818 . . . . 0.0 110.452 173.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.546 ' HE3' HD11 ' B' ' 33' ' ' ILE . 43.4 m0 -66.85 -33.02 74.68 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.054 0.941 . . . . 0.0 112.615 170.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.7 tt -58.67 -52.12 67.03 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.495 1.118 . . . . 0.0 112.785 177.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -58.2 -41.81 84.8 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.679 0.792 . . . . 0.0 111.556 179.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 62.2 m -62.68 -28.42 69.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.591 1.157 . . . . 0.0 113.453 173.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -65.41 -9.78 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -71.79 -15.76 62.16 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.75 1.62 . . . . 0.0 114.057 174.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.23 0 C-N-CA 125.968 1.747 . . . . 0.0 114.131 -174.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.488 1.447 0 CA-C-O 120.556 0.217 . . . . 0.0 110.563 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -143.57 149.69 37.77 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.918 1.287 . . . . 0.0 110.641 173.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 30.5 p90 -165.97 -39.56 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.763 2.425 . . . . 0.0 109.788 -177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -57.67 -34.77 69.74 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.358 1.463 . . . . 0.0 114.322 177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -61.4 -43.62 98.55 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 120.193 1.36 . . . . 0.0 111.902 172.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -66.47 -30.64 71.02 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.077 0.951 . . . . 0.0 112.658 175.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.91 -47.31 75.19 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 119.729 1.15 . . . . 0.0 111.757 168.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -55.09 -49.48 71.58 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.569 0.748 . . . . 0.0 112.034 176.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.29 4.45 0.71 Allowed 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.333 1.605 . . . . 0.0 115.333 173.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.889 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -116.49 -46.12 2.78 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 126.545 1.938 . . . . 0.0 110.844 172.446 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.91 -39.2 72.85 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 119.767 1.167 . . . . 0.0 111.156 -174.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -29.37 65.24 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 121.222 -0.923 . . . . 0.0 113.461 169.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -68.31 -42.56 79.25 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.124 -0.985 . . . . 0.0 111.964 174.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.81 -40.11 96.37 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 123.469 0.708 . . . . 0.0 111.956 171.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 37.0 tpp -55.54 -39.04 70.07 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -55.76 -47.33 77.18 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 123.996 0.918 . . . . 0.0 112.855 173.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.518 ' HB3' HD21 ' A' ' 7' ' ' LEU . 59.0 mt -69.72 -42.34 74.13 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 124.147 0.979 . . . . 0.0 111.259 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -60.03 -38.77 83.7 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.047 0.939 . . . . 0.0 112.191 175.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.3 ptm180 -78.22 -30.14 48.69 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.553 1.069 . . . . 0.0 112.96 176.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -45.64 82.83 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.375 0.989 . . . . 0.0 109.775 174.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.48 -33.65 76.03 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.395 1.078 . . . . 0.0 113.649 171.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.6 t -66.63 -48.34 69.74 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.054 -1.029 . . . . 0.0 112.091 173.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -64.66 -26.03 68.21 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.775 1.23 . . . . 0.0 113.462 177.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.89 -31.52 12.16 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 25.7 t -135.32 -50.97 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 CA-C-N 119.406 1.003 . . . . 0.0 112.743 -172.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.61 39.18 93.77 Favored Glycine 0 CA--C 1.536 1.394 0 N-CA-C 115.228 0.851 . . . . 0.0 115.228 177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -52.7 138.45 42.3 Favored Pre-proline 0 CA--C 1.552 1.021 0 CA-C-N 118.223 1.012 . . . . 0.0 111.807 172.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -69.07 -19.86 38.84 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.307 2.005 . . . . 0.0 117.223 -168.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -90.72 -26.31 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 CA-C-N 121.187 1.812 . . . . 0.0 111.694 170.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.85 -43.43 98.86 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 120.801 -1.187 . . . . 0.0 110.455 168.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.18 -9.58 17.82 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.362 1.865 . . . . 0.0 115.558 174.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.97 -20.17 10.63 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.686 1.13 . . . . 0.0 113.802 175.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.556 HG23 ' CE1' ' A' ' 40' ' ' HIS . 71.9 mt -63.15 -40.19 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 O-C-N 121.169 -0.957 . . . . 0.0 110.699 166.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 pp -62.52 -21.82 65.83 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 175.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -80.87 -41.49 23.06 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.078 1.351 . . . . 0.0 112.214 168.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -61.25 -48.2 82.54 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.465 1.106 . . . . 0.0 112.534 177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.604 ' OE2' 'ZN ' ' A' ' 50' ' ' ' ZN' . 43.0 mm-40 -66.83 -19.03 65.66 Favored 'General case' 0 CA--C 1.548 0.903 0 O-C-N 121.507 -0.745 . . . . 0.0 112.136 179.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -68.19 -44.49 75.73 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 120.951 -1.093 . . . . 0.0 111.933 171.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -58.86 -45.7 89.51 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 122.091 -0.381 . . . . 0.0 110.397 170.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.552 ' CD2' HG12 ' A' ' 33' ' ' ILE . 27.0 m170 -58.36 -42.8 87.74 Favored 'General case' 0 C--O 1.218 -0.6 0 N-CA-C 113.785 1.031 . . . . 0.0 113.785 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.436 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 16.2 tt -82.11 -26.88 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 126.372 1.869 . . . . 0.0 111.999 -174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -62.17 -49.4 75.98 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.555 -0.715 . . . . 0.0 110.048 163.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.457 ' CE3' HG22 ' A' ' 29' ' ' VAL . 30.3 m0 -64.54 -32.43 74.07 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.82 0.848 . . . . 0.0 113.254 173.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 3.4 tt -57.95 -50.28 73.89 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.528 1.131 . . . . 0.0 112.712 179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -58.13 -40.35 81.04 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 123.189 0.595 . . . . 0.0 112.006 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 7.3 m -59.87 -24.2 64.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 124.614 1.165 . . . . 0.0 113.544 175.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 58.8 mt -72.82 -11.14 14.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-N 120.236 1.38 . . . . 0.0 112.852 -178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -77.01 -8.45 57.44 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 125.233 1.413 . . . . 0.0 113.917 170.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.22 0 C-N-CA 126.066 1.793 . . . . 0.0 114.285 -178.178 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . 0.604 'ZN ' ' OE2' ' B' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . 0.598 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -146.63 113.88 6.25 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.409 1.084 . . . . 0.0 110.384 -169.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -158.39 -42.95 0.06 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.33 -39.51 83.39 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.939 1.296 . . . . 0.0 113.067 -176.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -54.36 -40.96 68.61 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 172.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.66 -32.57 74.21 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.75 0.705 . . . . 0.0 112.835 174.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.4 mt -67.98 -48.74 64.95 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.519 0.728 . . . . 0.0 110.828 172.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -49.86 48.21 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 124.564 1.146 . . . . 0.0 112.599 170.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.0 tmtt? -58.38 -15.19 9.63 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.325 1.85 . . . . 0.0 115.709 176.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.418 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -106.13 -41.38 5.37 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.408 1.883 . . . . 0.0 110.943 177.426 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -73.92 -35.57 64.62 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.118 0.967 . . . . 0.0 112.242 -175.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -73.12 -28.87 62.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 119.391 0.996 . . . . 0.0 112.994 170.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.09 -52.25 60.15 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 123.825 0.85 . . . . 0.0 110.404 168.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.34 40.22 0.05 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 127.119 2.168 . . . . 0.0 113.676 168.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 27.7 tpp -139.32 -52.08 0.54 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.497 1.519 . . . . 0.0 111.899 173.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -56.94 -33.7 67.26 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.441 0.696 . . . . 0.0 112.724 178.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.3 mt -80.57 -36.52 32.83 Favored 'General case' 0 CA--C 1.516 -0.345 0 C-N-CA 127.759 2.423 . . . . 0.0 113.373 177.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.68 -38.87 64.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.11 -168.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.12 -35.01 77.45 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 162.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -67.55 -53.53 27.61 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.621 1.101 . . . . 0.0 112.371 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.68 -36.71 84.75 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.998 0.919 . . . . 0.0 112.738 178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.0 t -58.48 -46.26 86.98 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.259 0.624 . . . . 0.0 112.605 177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -62.97 -27.83 69.67 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -79.82 -50.21 10.85 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.121 0.968 . . . . 0.0 111.487 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -73.18 -37.17 51.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.942 0 C-N-CA 124.301 1.04 . . . . 0.0 112.427 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.73 29.79 64.88 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 123.996 0.808 . . . . 0.0 115.111 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.11 133.63 20.45 Favored Pre-proline 0 N--CA 1.474 0.749 0 CA-C-N 118.557 1.179 . . . . 0.0 111.419 177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -67.56 -37.18 17.5 Favored 'Trans proline' 0 C--N 1.349 0.604 0 C-N-CA 122.357 2.038 . . . . 0.0 112.876 -173.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.6 p -65.38 -28.1 43.57 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 120.133 1.333 . . . . 0.0 113.133 178.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.49 -42.39 92.22 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 121.07 -1.019 . . . . 0.0 111.095 170.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.47 -12.79 55.86 Favored 'General case' 0 CA--C 1.545 0.763 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 169.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.79 -29.24 14.86 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.999 1.272 . . . . 0.0 113.201 -178.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.526 HG23 ' CG ' ' B' ' 40' ' ' HIS . 60.8 mt -58.4 -46.84 89.23 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 123.095 0.558 . . . . 0.0 111.706 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 pp -64.2 -31.56 72.81 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.54 -36.02 79.41 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.665 1.186 . . . . 0.0 113.046 176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -76.09 -36.53 58.88 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.222 1.009 . . . . 0.0 112.848 175.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -62.68 -23.99 67.4 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 121.006 -1.059 . . . . 0.0 112.473 172.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -61.91 -48.24 81.34 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 120.641 -1.287 . . . . 0.0 112.095 172.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.98 -45.55 86.58 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.094 0.558 . . . . 0.0 110.467 174.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' B' ' 33' ' ' ILE . 35.6 m170 -57.81 -35.5 70.94 Favored 'General case' 0 C--O 1.222 -0.374 0 C-N-CA 124.473 1.109 . . . . 0.0 113.835 -178.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 6.9 mm -77.79 -42.94 29.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 128.384 2.674 . . . . 0.0 110.619 -178.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -61.83 -45.64 92.93 Favored 'General case' 0 N--CA 1.469 0.506 0 O-C-N 121.761 -0.587 . . . . 0.0 110.564 173.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.599 ' CD2' HG21 ' B' ' 29' ' ' VAL . 40.7 m0 -62.11 -35.57 79.11 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.613 0.765 . . . . 0.0 112.308 170.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 0.6 OUTLIER -58.43 -56.59 20.21 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 119.305 0.957 . . . . 0.0 112.056 179.214 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.05 -41.96 99.6 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.46 1.104 . . . . 0.0 111.302 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 88.8 m -58.2 -36.65 73.42 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.183 0.993 . . . . 0.0 112.808 175.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -89.99 -7.51 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 N-CA-C 114.506 1.298 . . . . 0.0 114.506 -176.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -95.38 -13.38 24.75 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.419 1.487 . . . . 0.0 113.936 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.238 0 C-N-CA 125.334 1.445 . . . . 0.0 113.833 172.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptp . . . . . 0 N--CA 1.488 1.451 0 CA-C-O 119.513 -0.279 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 24.8 t0 47.37 45.39 16.89 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 125.791 1.636 . . . . 0.0 114.781 174.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -137.16 -46.96 0.57 Allowed 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.321 1.048 . . . . 0.0 112.667 -172.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -57.82 -34.8 70.05 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 126.176 1.79 . . . . 0.0 112.584 -178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -60.41 -44.3 95.84 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.876 176.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.97 -32.69 73.16 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 119.926 1.239 . . . . 0.0 112.717 174.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 45.4 mt -65.51 -51.77 57.56 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 123.411 0.685 . . . . 0.0 110.512 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.06 -50.2 59.11 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.537 1.535 . . . . 0.0 112.803 171.395 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 tmtm? -68.28 -2.38 8.15 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.744 2.018 . . . . 0.0 114.93 176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 63.5 mt -105.8 -45.32 4.42 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 124.637 1.175 . . . . 0.0 111.65 163.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.29 -43.28 74.13 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 119.423 1.01 . . . . 0.0 112.821 -173.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -72.47 -34.2 67.55 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 120.439 -1.413 . . . . 0.0 112.767 173.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -60.29 -47.66 85.06 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.496 0.718 . . . . 0.0 110.86 171.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.418 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -56.39 -47.53 78.76 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.98 1.312 . . . . 0.0 112.405 173.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.2 ttm -53.27 -47.31 69.25 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt -58.16 -32.44 68.19 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.893 1.277 . . . . 0.0 113.278 178.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 57.5 mt -88.67 -39.42 14.03 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 125.951 1.7 . . . . 0.0 111.597 -176.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -59.96 -40.5 89.27 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.124 0.57 . . . . 0.0 111.176 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -70.49 -32.46 69.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 124.802 1.241 . . . . 0.0 114.149 175.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -70.11 -51.94 27.63 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.952 0.882 . . . . 0.0 110.434 -176.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.74 59.68 4.75 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.33 1.452 . . . . 0.0 111.786 174.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.8 t -125.24 -50.15 1.67 Allowed 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.214 1.006 . . . . 0.0 111.83 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -69.24 -39.45 78.49 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.379 1.071 . . . . 0.0 111.799 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -70.7 -32.81 70.16 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.505 1.122 . . . . 0.0 112.748 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.5 -41.12 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 124.499 1.12 . . . . 0.0 111.645 -175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.44 3.8 83.29 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.386 1.469 . . . . 0.0 116.612 167.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -83.23 136.09 43.76 Favored Pre-proline 0 CA--C 1.548 0.878 0 CA-C-N 119.411 1.605 . . . . 0.0 112.474 -177.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -73.39 -35.58 4.78 Favored 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.831 2.354 . . . . 0.0 113.716 -170.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.599 HG21 ' CD2' ' A' ' 43' ' ' TRP . 9.0 p -65.45 -28.7 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.898 0 CA-C-N 119.041 0.837 . . . . 0.0 112.274 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.85 -42.47 84.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.975 1.31 . . . . 0.0 112.003 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.72 -23.62 67.31 Favored 'General case' 0 CA--C 1.548 0.867 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 174.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 18.7 mtpp -94.14 -25.7 17.01 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.569 1.148 . . . . 0.0 113.124 177.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.614 HG12 ' CD2' ' A' ' 40' ' ' HIS . 43.2 mt -57.8 -41.62 80.13 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 C-N-CA 124.174 0.989 . . . . 0.0 110.157 168.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 77.6 mt -53.06 -46.89 68.76 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.314 1.046 . . . . 0.0 112.832 174.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.57 -37.53 84.17 Favored 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.823 1.649 . . . . 0.0 112.565 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -71.2 -41.41 70.3 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 124.573 1.149 . . . . 0.0 111.99 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.28 -12.74 58.2 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 113.521 0.934 . . . . 0.0 113.521 174.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.44 -42.74 64.69 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 119.953 -1.717 . . . . 0.0 112.784 171.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -56.41 -39.3 72.82 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.486 -0.759 . . . . 0.0 110.714 172.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.526 ' CG ' HG23 ' A' ' 33' ' ' ILE . 25.6 m170 -67.42 -3.2 7.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.359 1.863 . . . . 0.0 115.538 178.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 27.0 mm -114.85 -40.12 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.821 1.649 . . . . 0.0 110.041 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -61.88 -52.09 65.54 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.249 -0.907 . . . . 0.0 111.836 173.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 37.3 m0 -63.23 -31.2 72.29 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.853 -0.53 . . . . 0.0 112.068 173.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.39 -58.15 9.77 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.977 1.311 . . . . 0.0 111.788 177.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -61.14 -41.32 96.53 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 123.742 0.817 . . . . 0.0 111.467 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 68.3 m -58.03 -49.83 75.51 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.662 0.785 . . . . 0.0 112.285 173.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 36.9 mm -72.33 -8.42 11.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.865 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -101.32 5.26 42.26 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 126.689 1.995 . . . . 0.0 113.437 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 C-N-CA 126.012 1.768 . . . . 0.0 113.945 172.475 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 119.268 -0.396 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 1.056 ' OD1' ' CB ' ' B' ' 21' ' ' ALA . 10.0 t70 48.04 19.36 0.18 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 118.334 2.716 . . . . 0.0 118.334 165.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE1' HD22 ' B' ' 17' ' ' LEU . 7.1 p90 43.06 34.36 0.63 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 126.142 1.777 . . . . 0.0 115.601 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -23.03 64.61 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 118.005 2.595 . . . . 0.0 118.005 -149.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 85.5 mtt-85 -55.15 -36.77 66.16 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -66.03 -29.23 69.55 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 119.466 1.03 . . . . 0.0 113.231 175.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -75.37 -47.03 29.43 Favored 'General case' 0 N--CA 1.467 0.402 0 C-N-CA 124.468 1.107 . . . . 0.0 111.829 175.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -49.34 37.67 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.756 0.822 . . . . 0.0 112.409 166.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -69.79 4.98 1.66 Allowed 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 115.869 1.803 . . . . 0.0 115.869 177.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.0 mt -115.72 -42.19 3.14 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.168 1.387 . . . . 0.0 111.446 166.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.466 ' OE2' ' OH ' ' B' ' 18' ' ' TYR . 6.1 mm-40 -71.99 -42.53 66.37 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.42 -0.8 . . . . 0.0 112.365 -176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -73.04 -30.19 63.55 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 120.97 -1.081 . . . . 0.0 111.959 172.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -61.99 -42.83 99.58 Favored 'General case' 0 N--CA 1.469 0.516 0 O-C-N 121.122 -0.986 . . . . 0.0 111.879 172.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.75 -45.74 85.13 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.202 0.601 . . . . 0.0 111.968 171.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.8 tpp -53.21 -44.31 67.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.447 1.099 . . . . 0.0 113.429 175.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.7 mmtt -54.13 -35.82 62.61 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.182 1.393 . . . . 0.0 113.714 174.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 74.1 mt -87.23 -38.71 16.09 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 125.158 1.383 . . . . 0.0 111.069 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -63.97 -22.94 67.15 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.591 0.96 . . . . 0.0 113.591 179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -88.05 -10.09 51.34 Favored 'General case' 0 N--CA 1.48 1.071 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 170.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -103.22 -57.61 2.01 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.509 1.124 . . . . 0.0 110.52 -177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.44 59.12 1.41 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.492 1.917 . . . . 0.0 111.492 172.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.7 t -133.97 -49.99 0.82 Allowed 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 125.209 1.403 . . . . 0.0 111.573 -175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -72.79 -31.57 64.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.153 0.581 . . . . 0.0 111.863 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.3 ttt180 -79.95 -28.29 39.65 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.859 1.264 . . . . 0.0 113.038 175.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.0 t -85.23 -48.24 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 124.166 0.986 . . . . 0.0 111.869 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.55 -8.75 70.46 Favored Glycine 0 CA--C 1.541 1.671 0 N-CA-C 116.855 1.502 . . . . 0.0 116.855 171.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.53 140.08 92.09 Favored Pre-proline 0 CA--C 1.551 1.012 0 CA-C-N 119.649 1.724 . . . . 0.0 113.548 -178.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -73.17 -34.16 6.5 Favored 'Trans proline' 0 C--N 1.351 0.696 0 C-N-CA 123.234 2.623 . . . . 0.0 113.589 -177.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p -63.46 -25.3 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 O-C-N 121.226 -0.921 . . . . 0.0 112.708 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.02 -34.14 72.96 Favored 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 124.353 1.061 . . . . 0.0 112.043 175.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -72.12 -21.06 61.53 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 171.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.567 ' HA ' ' HE2' ' A' ' 32' ' ' LYS . 11.7 mmpt? -83.31 -33.99 25.81 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.812 1.245 . . . . 0.0 112.452 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.471 HD13 ' CD2' ' B' ' 40' ' ' HIS . 24.2 mm -51.14 -55.16 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 C-N-CA 123.704 0.802 . . . . 0.0 111.131 172.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.9 pp -66.22 -27.13 67.74 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 113.725 1.009 . . . . 0.0 113.725 -175.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -76.69 -23.9 53.16 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 120.872 -1.142 . . . . 0.0 113.9 174.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -77.07 -43.8 33.03 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 124.18 0.992 . . . . 0.0 111.432 167.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -62.95 -20.17 64.97 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.511 -0.743 . . . . 0.0 112.972 175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -56.19 -51.96 66.14 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 120.803 -1.186 . . . . 0.0 111.958 172.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -59.92 -38.46 82.41 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 123.745 0.818 . . . . 0.0 111.153 176.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.977 ' CE1' HG23 ' B' ' 33' ' ' ILE . 29.9 m170 -67.98 -8.96 41.66 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.1 mm -110.1 -37.23 3.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 126.077 1.751 . . . . 0.0 109.729 173.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -57.53 -50.69 72.25 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 123.755 0.822 . . . . 0.0 111.059 172.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.989 ' CE2' HG21 ' B' ' 29' ' ' VAL . 31.1 m0 -65.61 -32.84 74.63 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.853 0.861 . . . . 0.0 112.442 172.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.92 -56.37 23.18 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.115 0.966 . . . . 0.0 112.308 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -59.23 -42.18 90.44 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.195 0.998 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.9 m -59.09 -23.83 62.42 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.329 1.052 . . . . 0.0 113.186 173.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.723 HD13 HD12 ' B' ' 30' ' ' LEU . 85.2 mt -103.33 -17.31 7.19 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 120.136 1.335 . . . . 0.0 112.464 -176.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -71.96 -32.5 67.33 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 126.218 1.807 . . . . 0.0 113.195 172.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.19 0 C-N-CA 125.701 1.619 . . . . 0.0 113.634 176.591 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.41 0 N-CA-C 111.313 0.116 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 45.9 58.44 4.37 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 126.631 1.972 . . . . 0.0 113.969 172.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -131.25 -155.95 0.72 Allowed 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.735 1.614 . . . . 0.0 110.464 -163.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' B' ' 7' ' ' LEU . 2.4 pp -52.92 -30.79 36.5 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.052 1.741 . . . . 0.0 114.867 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -37.96 71.97 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 120.49 -1.381 . . . . 0.0 112.81 172.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -64.7 -36.99 86.06 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 119.79 1.177 . . . . 0.0 111.774 169.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' B' ' 4' ' ' LEU . 95.8 mt -59.84 -53.42 58.14 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 118.835 0.743 . . . . 0.0 111.636 173.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -48.65 -51.13 29.87 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.083 0.953 . . . . 0.0 112.903 168.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -73.5 7.97 2.06 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 125.542 1.537 . . . . 0.0 114.958 178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.6 mt -115.54 -40.05 3.46 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.683 1.593 . . . . 0.0 111.05 165.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -71.19 -44.85 64.62 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 123.933 0.893 . . . . 0.0 111.515 -177.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -74.98 -29.46 60.91 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.069 -1.019 . . . . 0.0 113.136 174.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -66.7 -41.29 88.24 Favored 'General case' 0 CA--C 1.539 0.527 0 O-C-N 121.163 -0.961 . . . . 0.0 112.309 170.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.47 89.28 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.169 0.588 . . . . 0.0 111.735 170.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 3.1 ttm -54.24 -39.99 67.3 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.984 1.105 . . . . 0.0 113.984 179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 83.5 tttt -60.32 -46.49 89.7 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.392 0.677 . . . . 0.0 111.81 175.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.453 HD22 ' CE1' ' A' ' 3' ' ' TYR . 57.4 mt -67.43 -38.65 84.88 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 124.945 1.298 . . . . 0.0 111.267 178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.466 ' OH ' ' OE2' ' A' ' 11' ' ' GLU . 3.7 m-85 -64.15 -10.66 24.22 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.312 1.445 . . . . 0.0 114.406 179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.77 -10.28 11.11 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 170.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.05 -50.47 12.02 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.138 0.975 . . . . 0.0 112.823 -175.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 1.056 ' CB ' ' OD1' ' A' ' 2' ' ' ASP . . . -106.31 -28.25 10.5 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.158 0.983 . . . . 0.0 113.281 -178.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -54.51 -44.63 72.9 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.025 0.93 . . . . 0.0 112.178 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -62.09 -31.39 71.83 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.679 1.192 . . . . 0.0 113.567 178.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -81.63 -39.8 23.91 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.241 1.016 . . . . 0.0 112.932 174.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.59 HG21 ' HB2' ' A' ' 2' ' ' ASP . 73.8 t -68.66 -35.71 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 124.228 1.011 . . . . 0.0 111.775 177.213 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.01 8.91 87.27 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 125.322 1.439 . . . . 0.0 115.427 174.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -67.85 126.1 92.19 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 118.873 1.336 . . . . 0.0 112.018 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.46 -34.56 2.6 Favored 'Trans proline' 0 C--N 1.349 0.59 0 C-N-CA 122.213 1.942 . . . . 0.0 114.983 -170.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.989 HG21 ' CE2' ' A' ' 43' ' ' TRP . 11.2 p -72.36 -31.05 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.892 0 CA-C-N 120.255 1.389 . . . . 0.0 110.986 174.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.723 HD12 HD13 ' A' ' 47' ' ' ILE . 0.6 OUTLIER -65.78 -39.22 90.78 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.448 -0.782 . . . . 0.0 111.238 174.179 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.97 -45.41 89.19 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 168.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.594 ' HE2' ' CH2' ' A' ' 43' ' ' TRP . 11.9 pttt -67.23 -23.88 65.77 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.981 HD11 ' HE3' ' A' ' 43' ' ' TRP . 15.1 mt -61.6 -41.44 90.28 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 119.576 1.08 . . . . 0.0 112.537 178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.37 -22.07 66.25 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -63.11 -31.44 72.58 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 126.206 1.803 . . . . 0.0 114.002 172.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -74.66 -38.27 62.5 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.352 0.661 . . . . 0.0 110.919 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -63.41 -23.32 67.36 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.854 0.862 . . . . 0.0 112.523 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -62.06 -45.71 92.35 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 120.739 -1.226 . . . . 0.0 112.091 171.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -63.77 -39.28 93.89 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 121.684 -0.635 . . . . 0.0 110.632 175.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.471 ' CD2' HD13 ' A' ' 33' ' ' ILE . 26.6 m170 -61.41 -24.67 66.67 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 14.0 mm -84.67 -42.3 16.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 C-N-CA 127.251 2.22 . . . . 0.0 110.083 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -61.64 -45.46 93.93 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.338 -0.851 . . . . 0.0 111.202 170.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.0 m0 -67.54 -28.1 67.52 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 124.59 1.156 . . . . 0.0 113.117 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -50.32 74.18 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 119.256 0.934 . . . . 0.0 112.19 172.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -62.18 -44.2 97.14 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.76 0.824 . . . . 0.0 111.005 174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 38.8 m -58.08 -32.99 68.58 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 124.429 1.092 . . . . 0.0 112.753 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -61.12 -9.43 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 125.421 1.488 . . . . 0.0 114.742 176.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -140.68 15.02 2.33 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.047 1.739 . . . . 0.0 113.599 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 C-N-CA 125.692 1.615 . . . . 0.0 113.201 -177.143 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 119.791 -0.147 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.6 t70 51.45 29.29 5.15 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 125.89 1.676 . . . . 0.0 114.72 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.419 ' CE1' ' CB ' ' B' ' 21' ' ' ALA . 14.5 p90 -75.8 -5.77 47.44 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 125.636 1.574 . . . . 0.0 115.109 -168.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.1 pp -50.34 -19.24 0.77 Allowed 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 117.402 2.371 . . . . 0.0 117.402 -168.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 -55.95 -40.05 72.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.66 1.573 . . . . 0.0 111.926 168.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -63.88 -33.68 76.25 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 119.571 1.078 . . . . 0.0 112.619 176.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.581 HD22 ' CE1' ' B' ' 18' ' ' TYR . 89.1 mt -64.49 -48.41 75.29 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.637 0.653 . . . . 0.0 111.345 170.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.85 -48.45 72.86 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.91 0.884 . . . . 0.0 112.311 175.413 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.3 mmmt -71.55 2.54 4.95 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 115.116 1.524 . . . . 0.0 115.116 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -111.33 -42.69 3.85 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.016 1.326 . . . . 0.0 112.334 167.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.68 -38.95 53.59 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 119.13 0.877 . . . . 0.0 112.384 -172.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -73.96 -27.98 61.26 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.475 -0.766 . . . . 0.0 112.471 171.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -51.43 69.94 Favored 'General case' 0 CA--C 1.541 0.612 0 O-C-N 121.633 -0.667 . . . . 0.0 111.369 164.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.44 42.72 0.1 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.581 1.952 . . . . 0.0 113.872 175.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.28 -43.02 0.14 Allowed 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 125.738 1.615 . . . . 0.0 112.434 -177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.3 tmpt? -59.82 -41.2 90.79 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.524 0.73 . . . . 0.0 112.631 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.69 -32.38 18.02 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.491 1.116 . . . . 0.0 111.58 175.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.5 ' CD2' HD22 ' B' ' 7' ' ' LEU . 0.1 OUTLIER -59.7 -41.27 90.39 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 123.091 0.556 . . . . 0.0 111.145 -177.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 18.5 ptp180 -64.29 -36.19 83.29 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 113.786 1.032 . . . . 0.0 113.786 172.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -69.12 -46.17 68.33 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.101 1.36 . . . . 0.0 110.832 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -46.1 84.58 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.626 1.171 . . . . 0.0 111.798 171.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 t -57.38 -45.92 83.97 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.617 0.767 . . . . 0.0 112.867 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.61 -33.79 70.42 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -89.34 -39.97 13.09 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.8 t -78.43 -37.81 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 124.16 0.984 . . . . 0.0 111.789 -176.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.44 5.21 66.89 Favored Glycine 0 CA--C 1.54 1.613 0 N-CA-C 116.751 1.46 . . . . 0.0 116.751 171.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.55 144.1 97.49 Favored Pre-proline 0 CA--C 1.548 0.896 0 CA-C-N 119.405 1.603 . . . . 0.0 112.624 -179.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -69.17 -33.08 19.64 Favored 'Trans proline' 0 CA--C 1.538 0.717 0 C-N-CA 122.718 2.278 . . . . 0.0 113.061 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.61 -29.24 44.66 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.475 -0.765 . . . . 0.0 112.43 178.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.616 HD11 HG12 ' B' ' 47' ' ' ILE . 9.6 mp -68.21 -43.72 77.4 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.921 -1.112 . . . . 0.0 111.202 174.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.88 -41.32 86.84 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 118.419 0.554 . . . . 0.0 111.924 173.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 32.6 tttp -57.01 -44.6 82.95 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 168.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 59.1 mt -65.38 -36.12 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 CA-C-O 118.709 -0.662 . . . . 0.0 112.207 -178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -59.09 -41.78 88.91 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.741 1.155 . . . . 0.0 111.763 172.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.49 -44.48 90.84 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.425 1.09 . . . . 0.0 111.942 173.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -61.07 -48.79 80.07 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.699 0.799 . . . . 0.0 112.107 177.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -68.2 -33.77 75.05 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 120.898 -1.126 . . . . 0.0 112.678 176.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.0 mt-10 -60.99 -43.42 98.87 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.391 1.451 . . . . 0.0 111.348 169.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -60.68 -38.54 85.26 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 173.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -58.05 -32.57 68.13 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 117.199 -1.381 . . . . 0.0 113.944 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.425 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 44.9 mm -75.29 -38.54 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 C-N-CA 126.19 1.796 . . . . 0.0 110.772 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.73 -43.72 98.3 Favored 'General case' 0 N--CA 1.47 0.546 0 O-C-N 121.097 -1.002 . . . . 0.0 110.478 171.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.453 ' CG ' HG21 ' B' ' 29' ' ' VAL . 39.5 m0 -64.67 -33.52 76.15 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 123.402 0.681 . . . . 0.0 112.689 170.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.4 tt -60.1 -50.11 74.99 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 124.519 1.128 . . . . 0.0 111.935 174.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -58.94 -46.4 88.09 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.533 1.133 . . . . 0.0 110.919 175.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 96.8 m -58.75 -31.75 68.62 Favored 'General case' 0 N--CA 1.48 1.041 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 173.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.95 -6.4 3.87 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.6 m-80 -63.86 -15.33 58.67 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 125.449 1.5 . . . . 0.0 114.193 166.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.331 0 C-N-CA 126.437 1.97 . . . . 0.0 114.5 177.66 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.7 tpt . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 119.298 -0.382 . . . . 0.0 111.157 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -85.34 121.63 28.35 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.059 0.944 . . . . 0.0 111.637 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 31.8 p90 -155.51 -46.89 0.08 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.652 1.181 . . . . 0.0 112.67 173.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -64.98 -18.01 64.9 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 115.688 1.736 . . . . 0.0 115.688 -176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -66.17 -36.94 84.43 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.47 1.032 . . . . 0.0 112.162 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.73 -46.69 86.81 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.784 0.834 . . . . 0.0 111.666 167.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.5 HD22 ' CD2' ' A' ' 18' ' ' TYR . 63.9 mt -60.91 -44.93 96.47 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 118.326 0.512 . . . . 0.0 111.731 178.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.502 ' HA ' HD21 ' B' ' 44' ' ' LEU . 1.2 t80 -56.49 -54.41 46.07 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 124.691 1.196 . . . . 0.0 112.489 174.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 11.9 pttp -74.0 -1.69 20.96 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 115.36 1.615 . . . . 0.0 115.36 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.6 mt -96.96 -43.24 7.54 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.25 1.42 . . . . 0.0 111.905 164.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -70.8 -36.08 72.83 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.853 1.206 . . . . 0.0 111.856 -176.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -68.85 -27.18 65.59 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.3 -0.875 . . . . 0.0 113.209 169.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -75.73 -46.34 31.53 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.72 0.808 . . . . 0.0 111.627 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.4 51.42 0.25 Allowed 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 127.201 2.2 . . . . 0.0 112.206 169.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.73 -50.5 0.11 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.384 1.874 . . . . 0.0 112.072 176.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 33.0 mtpt -48.69 -45.18 38.71 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.242 1.017 . . . . 0.0 112.588 172.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 56.9 mt -69.15 -48.11 63.22 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 124.262 1.025 . . . . 0.0 111.523 -175.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.581 ' CE1' HD22 ' A' ' 7' ' ' LEU . 25.8 m-85 -58.27 -33.2 69.14 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.215 1.006 . . . . 0.0 113.239 178.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.33 -6.34 47.58 Favored 'General case' 0 N--CA 1.476 0.857 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 177.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -90.45 -53.95 4.21 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.551 1.069 . . . . 0.0 110.39 170.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.419 ' CB ' ' CE1' ' A' ' 3' ' ' TYR . . . -75.67 -1.16 23.45 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.217 1.407 . . . . 0.0 114.7 -174.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -54.1 -50.54 66.61 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 120.196 1.362 . . . . 0.0 114.175 -174.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -68.31 -22.61 64.7 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 175.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -88.08 -29.61 20.51 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.996 1.319 . . . . 0.0 112.673 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 -42.22 12.91 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.383 1.073 . . . . 0.0 111.682 176.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.19 39.07 53.61 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 115.923 1.129 . . . . 0.0 115.923 169.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.61 149.89 49.0 Favored Pre-proline 0 N--CA 1.48 1.059 0 CA-C-N 118.759 1.28 . . . . 0.0 113.013 178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.31 -34.37 1.57 Allowed 'Trans proline' 0 CA--C 1.54 0.776 0 C-N-CA 123.228 2.619 . . . . 0.0 113.21 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.453 HG21 ' CG ' ' A' ' 43' ' ' TRP . 8.5 p -65.11 -28.24 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 121.275 -0.89 . . . . 0.0 112.285 178.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.64 -45.26 93.63 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.822 1.649 . . . . 0.0 111.831 173.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.18 -40.3 95.59 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.133 0.573 . . . . 0.0 112.338 172.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -64.58 -36.75 85.23 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 121.243 -0.911 . . . . 0.0 112.704 173.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 66.6 mt -63.62 -45.05 98.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 124.334 1.054 . . . . 0.0 111.282 172.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.21 -37.45 83.06 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.706 1.139 . . . . 0.0 111.697 177.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -65.49 -36.9 85.24 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.44 1.496 . . . . 0.0 113.41 173.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.66 -51.02 60.87 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 123.873 0.869 . . . . 0.0 112.225 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -67.86 -14.77 63.23 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -65.91 -61.81 1.85 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.873 1.269 . . . . 0.0 112.112 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . 0.285 0.0 OUTLIER -75.8 -17.59 59.81 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -176.334 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 5.1 m170 -57.74 -0.66 0.08 Allowed 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 127.276 2.23 . . . . 0.0 115.621 162.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.6 tp -105.72 -31.51 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 CA-C-N 120.676 1.58 . . . . 0.0 110.985 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -71.44 -50.62 29.97 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.275 1.03 . . . . 0.0 110.152 169.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.7 m0 -61.36 -26.58 67.92 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.926 0.89 . . . . 0.0 113.232 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' B' ' 8' ' ' TYR . 53.3 tp -81.05 -28.0 35.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.805 1.242 . . . . 0.0 113.421 173.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -66.1 -32.88 74.6 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 120.411 1.459 . . . . 0.0 110.838 164.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 3.5 m -57.16 -24.65 55.78 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 121.08 -1.012 . . . . 0.0 113.095 170.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.616 HG12 HD11 ' A' ' 30' ' ' LEU . 16.0 mt -67.18 -15.27 19.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 120.086 1.312 . . . . 0.0 114.035 177.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -72.31 -9.47 58.53 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 126.162 1.785 . . . . 0.0 114.685 -175.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.195 0 C-N-CA 124.953 1.263 . . . . 0.0 113.55 177.891 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 118.997 -0.525 . . . . 0.0 110.02 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -67.69 130.3 42.58 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 119.513 1.051 . . . . 0.0 111.822 173.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.962 ' CE2' HG21 ' B' ' 25' ' ' VAL . 4.0 t80 -151.52 -67.92 0.18 Allowed 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.185 1.394 . . . . 0.0 109.803 165.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.47 -28.28 68.46 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -175.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.7 mmm-85 -67.53 -45.71 74.92 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 118.506 -0.759 . . . . 0.0 112.142 170.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -58.59 -41.02 84.8 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 119.202 0.91 . . . . 0.0 111.906 172.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.977 HD21 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mp -60.68 -56.92 15.49 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.077 0.951 . . . . 0.0 112.984 171.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -48.22 -54.48 13.39 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.041 0.837 . . . . 0.0 113.025 173.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -75.99 3.33 10.52 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 115.035 1.494 . . . . 0.0 115.035 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.5 mt -98.89 -45.83 5.84 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 124.785 1.234 . . . . 0.0 111.309 158.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -75.82 -36.77 59.57 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.658 1.117 . . . . 0.0 112.805 -170.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.56 -34.1 64.99 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.712 -1.242 . . . . 0.0 112.453 170.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -61.0 -42.6 98.77 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.251 0.62 . . . . 0.0 111.045 169.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.544 ' CB ' HD21 ' B' ' 10' ' ' LEU . . . -65.3 -39.16 92.15 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 124.804 1.242 . . . . 0.0 113.028 173.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.9 ttm -57.54 -42.07 82.19 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 119.292 0.951 . . . . 0.0 112.833 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -57.1 -30.69 64.57 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 171.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.6 mt -95.83 -35.8 11.37 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.779 1.232 . . . . 0.0 111.14 -171.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.487 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.2 m-85 -61.32 -40.13 93.07 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 118.757 -0.64 . . . . 0.0 112.063 173.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -62.96 -40.48 97.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 168.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.59 ' HG2' ' OH ' ' B' ' 3' ' ' TYR . 21.7 tt0 -76.77 -49.05 16.85 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.716 0.77 . . . . 0.0 112.452 -171.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.76 -42.15 88.23 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.133 0.973 . . . . 0.0 111.347 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t -56.48 -49.65 74.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.017 0.826 . . . . 0.0 112.444 174.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -55.46 -30.23 60.18 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -99.84 -32.05 11.2 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -179.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 88.2 t -84.3 -34.62 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 124.826 1.25 . . . . 0.0 111.728 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.45 9.24 87.12 Favored Glycine 0 CA--C 1.54 1.649 0 N-CA-C 116.165 1.226 . . . . 0.0 116.165 172.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -83.22 135.38 44.48 Favored Pre-proline 0 CA--C 1.548 0.871 0 CA-C-N 119.015 1.408 . . . . 0.0 112.169 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -68.15 -34.79 21.26 Favored 'Trans proline' 0 C--N 1.35 0.639 0 C-N-CA 122.818 2.345 . . . . 0.0 112.686 -177.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.5 p -61.15 -34.69 61.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.325 -0.86 . . . . 0.0 112.139 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.679 HD12 HG12 ' B' ' 47' ' ' ILE . 0.5 OUTLIER -64.7 -40.08 94.76 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.474 -0.766 . . . . 0.0 111.537 175.741 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.44 -42.18 99.27 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 170.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -67.37 -24.08 65.66 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 176.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.3 mt -65.58 -39.29 84.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 CA-C-N 119.001 0.819 . . . . 0.0 111.649 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.35 -30.42 71.56 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.193 0.906 . . . . 0.0 112.885 175.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.02 -40.01 75.47 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.124 1.37 . . . . 0.0 113.065 174.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -68.35 -41.29 80.91 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.524 -0.735 . . . . 0.0 112.122 174.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.442 ' OE2' ' CE1' ' B' ' 40' ' ' HIS . 28.3 mm-40 -68.3 -3.67 11.74 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 113.226 0.824 . . . . 0.0 113.226 174.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -84.84 -42.58 14.96 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 120.446 -1.409 . . . . 0.0 113.069 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.44 -40.77 98.03 Favored 'General case' 0 N--CA 1.485 1.284 0 O-C-N 120.865 -1.147 . . . . 0.0 110.616 170.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.636 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 2.2 m170 -54.77 -9.41 0.34 Allowed 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 129.851 3.261 . . . . 0.0 117.216 175.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.45 -26.67 1.94 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 125.204 1.402 . . . . 0.0 111.691 -178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -62.71 -55.75 23.87 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.173 -0.954 . . . . 0.0 110.952 163.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.479 ' CZ3' ' HE3' ' B' ' 32' ' ' LYS . 29.7 m0 -61.12 -33.69 73.78 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.31 0.644 . . . . 0.0 112.236 178.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 tt -55.78 -50.63 69.95 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 125.249 1.42 . . . . 0.0 112.558 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -64.54 -41.61 96.24 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.636 0.774 . . . . 0.0 112.143 175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.2 m -57.61 -37.19 72.83 Favored 'General case' 0 N--CA 1.481 1.111 0 C-N-CA 123.598 0.759 . . . . 0.0 112.354 174.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.5 mm -65.67 -11.35 12.13 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 C-N-CA 125.575 1.55 . . . . 0.0 114.429 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -73.74 -13.27 60.93 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.725 1.21 . . . . 0.0 113.849 170.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.313 0 C-N-CA 125.863 1.697 . . . . 0.0 114.06 178.562 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 90.1 mtp . . . . . 0 N--CA 1.488 1.464 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -79.58 61.73 3.66 Favored 'General case' 0 CA--C 1.549 0.942 0 C-N-CA 126.478 1.911 . . . . 0.0 114.157 -171.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.59 ' OH ' ' HG2' ' A' ' 20' ' ' GLU . 0.1 OUTLIER -127.77 -67.78 0.81 Allowed 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.955 1.302 . . . . 0.0 109.97 170.864 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 pp -43.88 -36.03 2.22 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 127.955 2.502 . . . . 0.0 115.486 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -66.74 -35.07 79.24 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 120.268 1.394 . . . . 0.0 113.307 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -66.04 -36.95 84.63 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.448 1.022 . . . . 0.0 112.331 169.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -45.74 77.04 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.265 0.484 . . . . 0.0 111.761 177.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.45 -46.99 66.7 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 125.527 1.531 . . . . 0.0 111.954 170.424 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -66.16 1.57 1.47 Allowed 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 115.88 1.808 . . . . 0.0 115.88 172.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.544 HD21 ' CB ' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -113.94 -45.7 3.06 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.616 1.967 . . . . 0.0 110.165 173.524 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.487 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 9.6 mm-40 -74.72 -46.33 38.28 Favored 'General case' 0 N--CA 1.464 0.261 0 C-N-CA 123.676 0.79 . . . . 0.0 111.501 -171.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -67.51 -31.99 72.49 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.698 0.681 . . . . 0.0 112.259 173.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.74 -47.71 84.01 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.404 1.081 . . . . 0.0 111.785 172.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -39.27 92.56 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.538 -0.727 . . . . 0.0 112.637 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -37.6 74.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 179.041 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mptt -55.53 -48.32 74.89 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 119.122 0.874 . . . . 0.0 111.87 170.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 76.8 mt -70.18 -39.96 74.93 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 124.685 1.194 . . . . 0.0 111.995 -173.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.977 ' CE1' HD21 ' A' ' 7' ' ' LEU . 17.0 m-85 -60.86 -31.47 70.92 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 -179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -86.53 -30.5 21.88 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 172.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -70.22 -54.3 13.37 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 122.099 0.952 . . . . 0.0 111.358 -178.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.539 ' CB ' ' CD1' ' A' ' 3' ' ' TYR . . . -80.37 41.17 0.52 Allowed 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 126.425 1.89 . . . . 0.0 112.893 177.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.5 t -91.03 -54.37 3.98 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.358 -0.839 . . . . 0.0 111.065 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -62.51 -29.82 70.83 Favored 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 113.939 1.089 . . . . 0.0 113.939 178.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.26 -29.89 42.84 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.557 1.143 . . . . 0.0 113.321 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.962 HG21 ' CE2' ' A' ' 3' ' ' TYR . 84.7 t -92.54 -40.56 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.487 0.715 . . . . 0.0 112.458 -175.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 58.12 36.24 81.01 Favored Glycine 0 CA--C 1.54 1.625 0 N-CA-C 115.795 1.078 . . . . 0.0 115.795 172.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -119.14 135.06 23.69 Favored Pre-proline 0 CA--C 1.547 0.839 0 C-N-CA 124.612 1.165 . . . . 0.0 111.178 -178.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -66.5 -21.8 52.54 Favored 'Trans proline' 0 CA--C 1.538 0.701 0 C-N-CA 122.832 2.355 . . . . 0.0 114.996 -174.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -67.96 -30.02 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 120.502 1.501 . . . . 0.0 112.581 -179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.625 HD21 ' OH ' ' A' ' 3' ' ' TYR . 4.8 mp -59.04 -35.05 72.66 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.202 -0.937 . . . . 0.0 112.701 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.78 -30.21 71.21 Favored 'General case' 0 CA--C 1.543 0.688 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.479 ' HE3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -83.26 -35.64 25.18 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.569 0.748 . . . . 0.0 110.841 172.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 17.8 mt -56.79 -35.57 46.56 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 N-CA-C 113.329 0.863 . . . . 0.0 113.329 -176.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 61.5 mt -56.51 -41.01 75.99 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.37 1.068 . . . . 0.0 113.248 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -62.03 -42.27 98.98 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.202 1.001 . . . . 0.0 111.487 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.636 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 72.0 m-20 -57.94 -50.39 73.54 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.626 0.77 . . . . 0.0 111.38 177.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -68.83 -28.1 66.43 Favored 'General case' 0 CA--C 1.545 0.774 0 O-C-N 121.472 -0.767 . . . . 0.0 112.625 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.83 -35.68 77.26 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 120.816 -1.177 . . . . 0.0 113.332 170.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -43.96 77.79 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 120.81 -1.181 . . . . 0.0 109.987 172.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.442 ' CE1' ' OE2' ' A' ' 37' ' ' GLU . 50.6 m170 -56.38 -33.52 65.81 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-O 117.238 -1.363 . . . . 0.0 114.029 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.446 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -80.75 -34.67 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 126.479 1.912 . . . . 0.0 111.348 -175.384 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -67.26 -46.8 72.63 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.696 0.798 . . . . 0.0 109.872 170.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 46.0 m0 -61.84 -30.72 71.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.731 0.813 . . . . 0.0 112.593 171.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.446 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.1 tt -58.53 -55.36 36.0 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 124.05 0.94 . . . . 0.0 112.684 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -69.58 -29.74 67.36 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.01 0.924 . . . . 0.0 112.5 176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.2 m -62.28 -29.97 70.8 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.364 -0.835 . . . . 0.0 112.156 170.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.679 HG12 HD12 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -68.45 -7.02 6.47 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -179.278 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -62.12 -19.14 62.69 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.592 1.557 . . . . 0.0 114.854 175.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.152 0 C-N-CA 125.314 1.435 . . . . 0.0 113.445 -179.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.317 0.579 . . . . 0.0 111.669 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -171.37 -34.63 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.595 1.158 . . . . 0.0 112.506 -165.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -51.57 -27.02 9.78 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.843 1.257 . . . . 0.0 112.931 170.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.8 mt -51.13 -34.37 30.61 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 127.87 2.468 . . . . 0.0 112.508 177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -73.32 -43.33 61.06 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.409 -1.432 . . . . 0.0 112.028 175.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -39.74 92.2 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 124.367 1.067 . . . . 0.0 112.014 174.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.1 mt -58.27 -54.74 43.57 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 125.072 1.349 . . . . 0.0 111.446 171.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -52.17 -51.7 56.43 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.559 0.744 . . . . 0.0 112.965 177.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -1.74 13.89 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 116.167 1.914 . . . . 0.0 116.167 177.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 80.1 mt -102.9 -38.33 7.43 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.192 0.997 . . . . 0.0 111.485 166.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -76.45 -44.65 34.79 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 123.884 0.874 . . . . 0.0 112.113 -172.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.27 -33.3 75.02 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.549 -0.719 . . . . 0.0 111.905 172.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -40.0 89.94 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 124.733 1.213 . . . . 0.0 112.704 174.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.76 -45.26 79.1 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 123.511 0.724 . . . . 0.0 112.27 170.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 ttm -53.52 -41.74 66.67 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.576 1.151 . . . . 0.0 113.015 175.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -50.58 -35.91 32.22 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.823 1.649 . . . . 0.0 114.13 173.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.3 mt -92.29 -41.16 10.54 Favored 'General case' 0 C--O 1.232 0.15 0 C-N-CA 125.974 1.71 . . . . 0.0 110.971 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.916 ' CE1' HD22 ' B' ' 7' ' ' LEU . 12.5 m-85 -55.74 -43.15 76.36 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.583 0.753 . . . . 0.0 111.821 172.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 ptt180 -69.53 -29.45 67.06 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 121.276 -0.89 . . . . 0.0 113.181 176.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -70.49 -45.1 66.32 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.969 0.908 . . . . 0.0 110.699 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.32 -34.98 76.14 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 169.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -62.59 -44.99 94.92 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.401 -0.812 . . . . 0.0 112.421 172.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -64.66 -35.99 82.8 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.627 0.771 . . . . 0.0 113.039 174.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.0 mtt-85 -67.21 -39.48 86.32 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 175.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -144.53 -57.19 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 C-N-CA 123.574 0.749 . . . . 0.0 111.923 -173.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 127.27 -65.82 0.57 Allowed Glycine 0 CA--C 1.529 0.912 0 C-N-CA 125.339 1.447 . . . . 0.0 111.502 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 48.87 129.84 0.0 OUTLIER Pre-proline 0 CA--C 1.555 1.142 0 C-N-CA 129.622 3.169 . . . . 0.0 116.554 -172.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -69.82 -40.51 5.14 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 121.964 1.776 . . . . 0.0 113.876 -168.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.435 ' CG2' ' CE3' ' B' ' 43' ' ' TRP . 2.6 p -75.17 -25.33 18.15 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 118.714 0.688 . . . . 0.0 112.067 175.228 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.54 -42.84 77.85 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.019 1.327 . . . . 0.0 111.922 174.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.46 -40.67 79.01 Favored 'General case' 0 CA--C 1.545 0.782 0 O-C-N 121.444 -0.785 . . . . 0.0 112.261 170.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -65.32 -39.38 92.37 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.0 0.92 . . . . 0.0 112.927 174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 41.7 mt -60.96 -47.26 94.34 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 124.032 0.933 . . . . 0.0 111.615 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -32.73 74.52 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 119.312 0.96 . . . . 0.0 112.192 178.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.4 -39.02 88.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.377 1.471 . . . . 0.0 112.871 171.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.698 ' CB ' ' HE2' ' B' ' 40' ' ' HIS . 86.2 m-20 -72.1 -41.12 67.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.072 -1.018 . . . . 0.0 112.191 175.671 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 mm-40 -63.93 -6.43 6.07 Favored 'General case' 0 CA--C 1.554 1.106 0 N-CA-C 113.334 0.864 . . . . 0.0 113.334 171.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -78.94 -54.33 6.15 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 120.24 1.382 . . . . 0.0 112.36 173.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -53.58 -39.48 64.86 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.126 0.971 . . . . 0.0 111.36 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.705 ' CE1' HG23 ' B' ' 33' ' ' ILE . 7.9 m170 -57.08 -6.3 0.35 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 128.941 2.897 . . . . 0.0 117.0 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.4 mm -110.31 -37.82 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 120.405 1.457 . . . . 0.0 109.972 175.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -61.93 -52.94 62.02 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.291 -0.881 . . . . 0.0 111.161 169.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.583 ' CD2' HG21 ' B' ' 29' ' ' VAL . 40.6 m0 -59.99 -33.28 71.75 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.22 0.608 . . . . 0.0 112.18 176.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -54.35 -57.17 12.3 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 125.412 1.485 . . . . 0.0 112.384 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.16 -31.08 34.26 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.217 1.007 . . . . 0.0 112.299 -178.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 93.6 m -60.59 -34.99 75.02 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.848 -1.157 . . . . 0.0 111.854 174.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.2 mm -61.13 -8.56 2.03 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 115.83 1.789 . . . . 0.0 115.83 175.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -63.36 -20.56 65.62 Favored 'General case' 0 CA--C 1.547 0.831 0 O-C-N 120.586 -1.321 . . . . 0.0 113.887 166.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.2 0 C-N-CA 126.541 2.02 . . . . 0.0 113.042 176.442 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 ttm . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 119.11 -0.471 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -94.4 91.3 6.6 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 119.516 1.053 . . . . 0.0 111.825 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.5 p90 -143.96 -51.34 0.31 Allowed 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 124.953 1.301 . . . . 0.0 111.863 178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pp -48.77 -27.33 2.89 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 127.559 2.344 . . . . 0.0 115.396 -179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 37.7 ttt180 -71.47 -38.06 71.28 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 126.268 1.827 . . . . 0.0 113.385 177.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -64.68 -45.79 85.18 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 119.15 0.886 . . . . 0.0 111.355 167.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.916 HD22 ' CE1' ' A' ' 18' ' ' TYR . 1.3 mt -57.61 -42.56 83.5 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 118.754 0.706 . . . . 0.0 111.999 176.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -56.4 -51.88 66.69 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.428 0.691 . . . . 0.0 112.019 172.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 10.3 mptt -70.75 15.97 0.09 Allowed 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.711 1.604 . . . . 0.0 115.127 170.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 71.0 mt -125.18 -39.24 2.24 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.529 1.532 . . . . 0.0 111.608 168.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.37 -51.62 10.51 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.439 1.096 . . . . 0.0 111.065 -177.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.65 -36.84 84.83 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.276 1.03 . . . . 0.0 112.953 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.96 -44.44 96.75 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.392 0.677 . . . . 0.0 111.991 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.88 -42.4 99.02 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 118.505 -0.759 . . . . 0.0 111.824 169.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.88 -40.63 66.75 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.101 1.318 . . . . 0.0 113.87 -176.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 13.3 mttm -54.18 -50.2 67.57 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.529 0.731 . . . . 0.0 112.316 172.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 33.0 mt -72.98 -38.21 66.75 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 125.619 1.567 . . . . 0.0 111.911 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -56.94 -44.25 82.34 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 125.272 1.429 . . . . 0.0 110.758 177.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 ptt180 -74.69 -36.17 62.76 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 118.986 0.812 . . . . 0.0 111.532 178.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -64.59 -46.74 81.41 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 123.642 0.777 . . . . 0.0 111.305 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.3 -47.66 83.3 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.119 1.368 . . . . 0.0 111.975 173.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -57.95 -45.65 86.31 Favored 'General case' 0 N--CA 1.475 0.778 0 CA-C-N 119.171 0.896 . . . . 0.0 112.473 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -63.31 -20.81 65.82 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 177.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.15 -44.22 9.39 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 124.472 1.109 . . . . 0.0 112.82 171.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.5 t -84.37 -39.65 14.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.119 1.367 . . . . 0.0 112.695 -169.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.66 9.25 82.43 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.103 1.335 . . . . 0.0 116.367 176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.63 138.38 83.24 Favored Pre-proline 0 CA--C 1.548 0.901 0 CA-C-N 119.546 1.673 . . . . 0.0 112.696 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.28 -35.15 11.58 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.953 2.436 . . . . 0.0 113.209 -173.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 43' ' ' TRP . 9.7 p -67.09 -32.96 60.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.507 -0.746 . . . . 0.0 111.812 174.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.56 -41.63 88.34 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 121.499 -0.751 . . . . 0.0 111.02 175.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.35 -40.02 95.03 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.614 0.766 . . . . 0.0 113.045 170.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -59.84 -38.95 83.52 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.821 0.848 . . . . 0.0 112.655 174.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.705 HG23 ' CE1' ' A' ' 40' ' ' HIS . 54.2 mt -61.74 -29.92 47.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 CA-C-O 118.46 -0.781 . . . . 0.0 113.0 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 31.0 mt -55.79 -41.54 74.25 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 120.382 1.447 . . . . 0.0 111.389 169.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -43.52 71.99 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.594 1.558 . . . . 0.0 113.119 177.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.11 -44.98 96.51 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.622 -0.674 . . . . 0.0 111.482 172.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.516 ' OE2' ' CE1' ' A' ' 40' ' ' HIS . 43.8 mm-40 -73.38 -19.8 60.91 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 120.971 -1.08 . . . . 0.0 113.174 178.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.99 -45.78 73.16 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.697 1.135 . . . . 0.0 112.295 173.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -70.96 -37.72 72.8 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 121.367 -0.833 . . . . 0.0 111.354 177.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.698 ' HE2' ' CB ' ' A' ' 36' ' ' ASP . 26.4 m170 -51.19 -44.64 61.59 Favored 'General case' 0 C--O 1.218 -0.58 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.436 ' HA ' ' HB3' ' B' ' 44' ' ' LEU . 20.0 tt -83.58 -33.27 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 C-N-CA 125.832 1.653 . . . . 0.0 111.189 -170.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -58.13 -47.85 82.02 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.096 0.862 . . . . 0.0 109.831 165.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.435 ' CE3' ' CG2' ' A' ' 29' ' ' VAL . 50.4 m0 -72.05 -34.99 69.2 Favored 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 124.086 0.954 . . . . 0.0 113.383 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.436 ' HB3' ' HA ' ' B' ' 41' ' ' ILE . 32.7 tp -66.28 -38.99 89.08 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.513 0.725 . . . . 0.0 111.317 172.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -68.3 -44.99 74.25 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 121.235 -0.916 . . . . 0.0 111.677 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 60.7 m -58.11 -23.71 55.93 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.33 1.052 . . . . 0.0 113.405 173.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -70.94 -5.29 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 177.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 20.2 p-10 -60.61 -19.65 58.47 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 116.532 2.049 . . . . 0.0 116.532 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.238 0 C-N-CA 126.307 1.908 . . . . 0.0 113.433 174.459 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 121.626 0.727 . . . . 0.0 109.576 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.5 p30 176.26 -20.17 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 C-N-CA 124.922 1.289 . . . . 0.0 114.449 -155.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.428 ' OH ' ' HD2' ' B' ' 24' ' ' ARG . 1.0 OUTLIER 67.08 10.86 8.03 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 127.288 2.235 . . . . 0.0 115.492 171.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.13 -34.29 63.6 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 126.561 1.944 . . . . 0.0 114.803 -170.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 69.8 ttt180 -59.21 -43.93 92.27 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.796 0.839 . . . . 0.0 112.761 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -64.58 -33.07 75.05 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 118.944 0.793 . . . . 0.0 112.182 173.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 31.7 mt -68.93 -45.96 69.47 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 118.507 0.594 . . . . 0.0 110.71 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.98 -50.89 57.36 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 125.285 1.434 . . . . 0.0 111.652 170.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp -65.88 2.89 0.92 Allowed 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.947 1.832 . . . . 0.0 115.947 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.9 mt -122.58 -37.32 2.79 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.343 1.457 . . . . 0.0 113.231 173.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -75.58 -30.56 59.68 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.788 -1.195 . . . . 0.0 111.994 -178.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.15 6.77 7.36 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.348 1.459 . . . . 0.0 113.595 168.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -127.31 -44.34 1.58 Allowed 'General case' 0 C--N 1.339 0.143 0 C-N-CA 124.833 1.253 . . . . 0.0 111.688 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 59.68 0.06 Allowed 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.718 0.807 . . . . 0.0 110.059 151.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 30.0 tpp -158.31 -51.78 0.07 Allowed 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 126.067 1.747 . . . . 0.0 113.589 -175.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -62.13 -42.1 98.9 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.297 0.953 . . . . 0.0 112.317 -177.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.86 -31.73 64.94 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 123.629 0.772 . . . . 0.0 110.968 178.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 1.073 ' CE1' HD22 ' B' ' 7' ' ' LEU . 2.6 m-85 -60.15 -54.89 40.46 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 118.744 -0.646 . . . . 0.0 110.78 173.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -60.45 -37.18 80.16 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 119.97 1.259 . . . . 0.0 113.537 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -60.35 -51.49 69.3 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 119.607 1.094 . . . . 0.0 111.825 177.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.54 -44.7 89.98 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.986 0.915 . . . . 0.0 112.427 176.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -64.37 -37.84 88.92 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.494 1.117 . . . . 0.0 113.161 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -56.51 -28.55 60.19 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.749 1.219 . . . . 0.0 112.81 174.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -89.84 -68.11 0.8 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.054 0.941 . . . . 0.0 110.985 169.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.3 t -151.53 -69.12 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 126.162 1.785 . . . . 0.0 110.764 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.64 -4.11 3.21 Favored Glycine 0 CA--C 1.544 1.902 0 N-CA-C 117.769 1.868 . . . . 0.0 117.769 177.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.565 ' CB ' HG12 ' B' ' 47' ' ' ILE . 12.4 t70 70.47 136.04 0.05 OUTLIER Pre-proline 0 N--CA 1.481 1.094 0 C-N-CA 128.182 2.593 . . . . 0.0 111.746 -157.495 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -60.09 -18.37 50.67 Favored 'Trans proline' 0 CA--C 1.544 0.978 0 C-N-CA 122.831 2.354 . . . . 0.0 115.858 -176.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.91 ' CG1' HD11 ' B' ' 47' ' ' ILE . 3.8 p -65.86 -25.21 35.69 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.193 0 CA-C-N 120.652 1.569 . . . . 0.0 113.144 170.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.402 ' O ' HD23 ' A' ' 30' ' ' LEU . 1.8 tt -59.13 -41.51 88.41 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 120.933 -1.104 . . . . 0.0 111.594 174.341 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -64.12 0.14 1.02 Allowed 'General case' 0 CA--C 1.552 1.034 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 172.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -116.96 -31.17 5.49 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 125.845 1.658 . . . . 0.0 110.716 172.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -61.85 -45.74 98.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.366 0 O-C-N 121.866 -0.521 . . . . 0.0 111.237 173.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 pp -65.84 -23.77 66.75 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.49 -43.92 72.16 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.298 1.439 . . . . 0.0 112.826 169.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.57 ' OD2' ' NE2' ' B' ' 40' ' ' HIS . 90.6 m-20 -59.12 -46.58 87.96 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 121.375 -0.828 . . . . 0.0 110.932 171.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -67.51 -12.25 59.89 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 177.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.69 -51.73 18.16 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 120.79 -1.194 . . . . 0.0 111.485 173.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -60.14 -34.55 73.68 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 121.583 -0.698 . . . . 0.0 111.317 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CE1' HG23 ' B' ' 33' ' ' ILE . 27.2 m170 -62.32 -5.12 2.17 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 127.252 2.221 . . . . 0.0 116.282 175.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -114.59 -31.3 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 125.441 1.496 . . . . 0.0 110.872 176.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -67.93 -49.98 58.7 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.683 0.793 . . . . 0.0 111.146 172.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.407 ' CG ' HG21 ' B' ' 29' ' ' VAL . 30.0 m0 -60.79 -34.55 74.67 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 123.228 0.611 . . . . 0.0 111.896 172.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.2 tt -57.22 -58.25 9.06 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.505 1.122 . . . . 0.0 111.907 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -68.19 -38.5 82.08 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.986 0.914 . . . . 0.0 112.356 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 94.3 m -57.12 -23.5 47.59 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.79 1.236 . . . . 0.0 113.86 176.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.34 -9.8 9.62 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 127.158 2.183 . . . . 0.0 110.274 -173.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -90.13 -5.93 55.94 Favored 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 126.669 1.988 . . . . 0.0 112.846 173.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.247 0 C-N-CA 126.245 1.879 . . . . 0.0 113.965 175.303 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 73.8 mtm . . . . . 0 N--CA 1.488 1.444 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -151.79 152.34 32.55 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.26 1.424 . . . . 0.0 110.752 173.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 55.8 p90 -51.93 -35.14 44.72 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.095 1.358 . . . . 0.0 113.022 175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 1.8 pp -71.29 -14.58 62.26 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -178.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 42.2 ttp180 -68.66 -38.77 80.67 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 120.233 1.379 . . . . 0.0 111.104 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -63.01 -43.69 98.08 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-O 118.595 -0.717 . . . . 0.0 111.303 168.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 1.073 HD22 ' CE1' ' A' ' 18' ' ' TYR . 87.4 mt -56.65 -52.02 66.5 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.648 1.113 . . . . 0.0 112.058 174.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.1 -52.05 47.43 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.347 1.059 . . . . 0.0 112.727 172.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 57.9 mtpt -74.92 -2.37 26.71 Favored 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 115.034 1.494 . . . . 0.0 115.034 -177.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 69.4 mt -103.54 -38.08 7.29 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.728 1.611 . . . . 0.0 111.54 167.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -77.49 -36.0 53.08 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.561 1.073 . . . . 0.0 112.059 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.41 -29.95 68.74 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-N 119.556 1.071 . . . . 0.0 112.586 169.081 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -54.79 24.84 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 123.019 0.528 . . . . 0.0 110.602 169.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.86 46.07 0.07 Allowed 'General case' 0 CA--C 1.552 1.032 0 C-N-CA 127.181 2.192 . . . . 0.0 113.598 171.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -145.56 -45.67 0.21 Allowed 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.903 1.681 . . . . 0.0 111.472 176.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -55.85 -51.96 65.7 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.616 0.766 . . . . 0.0 112.052 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -71.4 -33.04 69.12 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 178.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -63.37 -43.56 97.28 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 119.562 1.074 . . . . 0.0 111.988 -173.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 15.4 ptp180 -57.75 -44.64 86.26 Favored 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 114.999 1.481 . . . . 0.0 114.999 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.5 -48.11 65.29 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 119.589 1.086 . . . . 0.0 112.547 -172.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -44.59 91.89 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 124.622 1.169 . . . . 0.0 111.272 174.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 7.3 t -58.64 -43.96 89.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.261 0.625 . . . . 0.0 112.494 175.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -56.21 -25.57 47.7 Favored 'General case' 0 CA--C 1.548 0.904 0 C-N-CA 124.82 1.248 . . . . 0.0 114.054 177.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.428 ' HD2' ' OH ' ' A' ' 3' ' ' TYR . 58.1 mtt180 -104.76 -42.71 5.3 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.571 1.149 . . . . 0.0 113.723 178.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 84.6 t -80.97 -35.34 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 125.196 1.398 . . . . 0.0 112.054 -174.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 1.68 56.9 Favored Glycine 0 CA--C 1.538 1.484 0 N-CA-C 116.53 1.372 . . . . 0.0 116.53 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 -68.03 133.85 91.82 Favored Pre-proline 0 CA--C 1.547 0.834 0 CA-C-N 119.718 1.759 . . . . 0.0 112.005 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.18 -34.13 10.52 Favored 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 122.696 2.264 . . . . 0.0 113.489 -172.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.407 HG21 ' CG ' ' A' ' 43' ' ' TRP . 6.2 p -68.84 -29.48 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 119.27 0.941 . . . . 0.0 112.165 175.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.54 -43.08 95.12 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.193 0.997 . . . . 0.0 111.213 172.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.06 -43.09 99.55 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.028 0.531 . . . . 0.0 112.324 169.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.82 -34.31 72.89 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.342 1.057 . . . . 0.0 113.013 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.551 HG23 ' CE1' ' A' ' 40' ' ' HIS . 66.0 mt -66.02 -41.66 90.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.505 0 CA-C-O 118.842 -0.599 . . . . 0.0 111.714 175.235 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -37.98 84.77 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.397 0.999 . . . . 0.0 111.899 174.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -62.84 -38.07 89.29 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.745 1.218 . . . . 0.0 112.276 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -74.59 -33.53 62.66 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.696 0.999 . . . . 0.0 113.696 174.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -72.06 -13.77 61.68 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 120.232 -1.543 . . . . 0.0 113.315 171.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.23 -53.47 29.89 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 119.325 0.966 . . . . 0.0 112.392 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -24.69 64.0 Favored 'General case' 0 N--CA 1.482 1.158 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.57 ' NE2' ' OD2' ' A' ' 36' ' ' ASP . 14.2 m170 -59.03 -14.77 10.49 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 116.412 2.004 . . . . 0.0 116.412 -176.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.477 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 2.9 tt -115.31 -24.8 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 125.16 1.384 . . . . 0.0 112.645 -167.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -62.85 -48.99 76.65 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 121.439 -0.788 . . . . 0.0 110.042 158.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -60.41 -36.52 78.33 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 123.484 0.714 . . . . 0.0 112.593 175.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.4 tt -57.98 -48.26 80.52 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.857 1.263 . . . . 0.0 112.443 174.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -65.58 -43.25 90.34 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.775 1.23 . . . . 0.0 112.214 175.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 98.1 m -55.78 -40.37 72.55 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 124.163 0.985 . . . . 0.0 112.403 173.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.91 HD11 ' CG1' ' A' ' 29' ' ' VAL . 36.5 mt -61.72 -13.72 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 126.511 1.925 . . . . 0.0 114.835 174.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -109.37 -41.93 4.49 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 125.607 1.563 . . . . 0.0 114.014 179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.5 0 C-N-CA 129.159 3.266 . . . . 0.0 116.649 179.328 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 121.052 0.453 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -157.5 165.54 35.36 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.895 1.278 . . . . 0.0 109.87 172.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.121 ' OH ' ' HB3' ' B' ' 20' ' ' GLU . 5.4 t80 61.73 -48.54 0.15 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 128.985 2.914 . . . . 0.0 114.551 -172.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 48.0 mt -62.78 -25.55 68.28 Favored 'General case' 0 CA--C 1.528 0.114 0 C-N-CA 127.738 2.415 . . . . 0.0 114.981 -171.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 mtt180 -55.82 -43.23 76.77 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.693 0.797 . . . . 0.0 112.601 174.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -60.41 -35.63 76.24 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 119.206 0.912 . . . . 0.0 112.531 175.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.614 ' CD2' ' CE1' ' B' ' 18' ' ' TYR . 2.0 mp -71.13 -46.58 61.35 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.565 1.146 . . . . 0.0 112.265 176.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.5 -48.21 66.13 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.484 0.713 . . . . 0.0 112.809 169.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -69.02 7.11 0.76 Allowed 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 115.266 1.58 . . . . 0.0 115.266 173.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.85 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -122.01 -45.82 2.23 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.885 2.074 . . . . 0.0 110.449 176.471 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.484 ' OE1' ' OE2' ' B' ' 37' ' ' GLU . 5.4 mm-40 -73.97 -48.22 31.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.113 0.965 . . . . 0.0 111.014 -173.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -31.3 69.88 Favored 'General case' 0 CA--C 1.542 0.657 0 O-C-N 121.53 -0.731 . . . . 0.0 112.097 174.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -61.15 -47.27 86.97 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 123.837 0.855 . . . . 0.0 111.672 171.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.61 95.96 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.454 0.702 . . . . 0.0 112.32 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -56.64 -40.42 75.41 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 119.48 1.036 . . . . 0.0 113.446 178.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 44.4 mttt -55.95 -46.75 78.45 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.082 0.856 . . . . 0.0 112.358 172.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD13 ' HB3' ' B' ' 6' ' ' GLU . 65.5 mt -70.74 -41.51 71.73 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 124.037 0.935 . . . . 0.0 111.601 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -62.3 -39.41 92.9 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 123.641 0.776 . . . . 0.0 111.565 176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 ptt180 -74.23 -33.86 63.49 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.354 0.979 . . . . 0.0 112.51 176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -64.24 -46.88 81.83 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 118.449 0.568 . . . . 0.0 110.8 177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' CB ' ' CE2' ' B' ' 3' ' ' TYR . . . -60.92 -42.76 98.74 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.868 1.267 . . . . 0.0 112.664 172.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 t -56.05 -51.13 68.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.251 -0.905 . . . . 0.0 112.109 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -71.88 -1.31 13.83 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.0 mtt85 -114.91 -17.65 11.47 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 125.812 1.645 . . . . 0.0 114.45 176.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.412 HG21 ' OH ' ' B' ' 3' ' ' TYR . 24.5 t -131.6 -32.64 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 124.183 0.993 . . . . 0.0 112.96 -172.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.09 17.11 71.54 Favored Glycine 0 CA--C 1.539 1.554 0 N-CA-C 116.706 1.442 . . . . 0.0 116.706 171.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.07 139.93 95.95 Favored Pre-proline 0 CA--C 1.549 0.927 0 CA-C-N 119.574 1.687 . . . . 0.0 112.309 176.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -71.29 -34.81 9.35 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.783 2.322 . . . . 0.0 113.399 -174.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 p -71.39 -26.0 25.95 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 O-C-N 121.278 -0.889 . . . . 0.0 112.693 176.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.47 -39.11 82.61 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.172 0.989 . . . . 0.0 111.556 172.226 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.41 -29.38 70.07 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 173.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mttm -81.26 -30.71 34.01 Favored 'General case' 0 N--CA 1.479 1.023 0 O-C-N 121.315 -0.866 . . . . 0.0 113.122 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.557 HG12 ' CD2' ' B' ' 40' ' ' HIS . 95.7 mt -55.63 -45.57 79.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.239 0 C-N-CA 124.716 1.207 . . . . 0.0 111.346 164.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.6 mt -58.97 -43.89 91.44 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 119.297 0.953 . . . . 0.0 112.024 175.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.39 -42.69 99.62 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.923 1.289 . . . . 0.0 112.303 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -68.75 -42.71 77.15 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.236 0.615 . . . . 0.0 111.966 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.686 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 50.7 mm-40 -67.19 -26.35 66.58 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.749 -1.219 . . . . 0.0 113.535 173.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -59.95 -46.18 90.23 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 121.018 1.735 . . . . 0.0 112.06 174.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -57.73 -41.44 81.83 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 121.879 -0.513 . . . . 0.0 111.202 173.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.662 ' CD2' HG12 ' B' ' 33' ' ' ILE . 34.6 m170 -65.08 -13.2 57.41 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 115.463 1.653 . . . . 0.0 115.463 -178.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.8 mm -102.83 -38.88 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.876 0 C-N-CA 125.96 1.704 . . . . 0.0 109.663 176.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.21 -48.65 79.7 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.47 -0.768 . . . . 0.0 111.028 171.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.595 ' CG ' HG21 ' B' ' 29' ' ' VAL . 28.4 m0 -63.99 -34.89 79.02 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.478 0.711 . . . . 0.0 112.423 172.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.27 -59.55 4.95 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.739 0.816 . . . . 0.0 111.656 176.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.51 -41.73 97.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.486 1.114 . . . . 0.0 111.777 -177.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.2 m -59.02 -31.15 68.56 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.286 1.034 . . . . 0.0 112.923 176.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.5 mp -95.82 -19.87 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.363 1.065 . . . . 0.0 113.172 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -77.27 -26.27 52.29 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.245 1.418 . . . . 0.0 114.102 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.226 0 C-N-CA 125.799 1.666 . . . . 0.0 113.375 173.701 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 54.0 ttm . . . . . 0 N--CA 1.488 1.429 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -147.49 -60.42 0.27 Allowed 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.461 0.705 . . . . 0.0 112.824 -170.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.587 ' CE2' ' CB ' ' A' ' 21' ' ' ALA . 42.5 p90 -147.48 -41.05 0.18 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.578 1.551 . . . . 0.0 110.791 176.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -29.97 -45.79 0.06 Allowed 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 129.805 3.242 . . . . 0.0 113.958 164.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 63.8 ttt180 -73.25 -41.87 63.19 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.996 1.319 . . . . 0.0 112.911 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.477 ' HB3' HD13 ' A' ' 17' ' ' LEU . 8.0 mt-10 -61.6 -28.13 69.14 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 118.273 -0.87 . . . . 0.0 112.113 168.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 38.5 mt -67.02 -55.44 14.39 Favored 'General case' 0 C--N 1.344 0.369 0 CA-C-N 119.667 1.121 . . . . 0.0 110.432 169.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.17 -51.11 63.1 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 124.359 1.063 . . . . 0.0 113.681 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 pttp -73.38 -5.27 38.66 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.493 1.664 . . . . 0.0 115.493 -178.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 10' ' ' LEU . 54.4 mt -100.26 -40.64 7.43 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.329 0.513 . . . . 0.0 111.721 165.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -74.08 -35.34 64.22 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.267 -0.896 . . . . 0.0 112.666 -171.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -76.66 -31.62 57.44 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.187 -0.945 . . . . 0.0 112.483 171.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -40.47 97.65 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 121.568 -0.707 . . . . 0.0 111.844 172.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.85 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -52.38 -44.45 65.3 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 123.733 0.813 . . . . 0.0 112.118 172.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.6 ttm -62.83 -40.3 97.0 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -59.49 -44.96 92.95 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.343 0.657 . . . . 0.0 112.14 172.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.416 HD12 HD22 ' A' ' 10' ' ' LEU . 60.4 mt -68.51 -40.34 80.86 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 124.055 0.942 . . . . 0.0 111.859 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.614 ' CE1' ' CD2' ' A' ' 7' ' ' LEU . 9.5 m-85 -63.33 -42.19 98.95 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.414 0.686 . . . . 0.0 111.679 177.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -73.61 -26.84 60.98 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.358 0.981 . . . . 0.0 113.221 174.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . 1.121 ' HB3' ' OH ' ' A' ' 3' ' ' TYR . 21.1 tt0 -70.57 -53.48 15.86 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.075 0.852 . . . . 0.0 111.632 174.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.925 ' HB2' ' CE1' ' A' ' 3' ' ' TYR . . . -56.16 -24.03 38.72 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.764 1.226 . . . . 0.0 113.623 174.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.21 -37.12 71.74 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.606 1.163 . . . . 0.0 113.513 171.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -23.83 63.78 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtt180 -91.58 -42.55 10.15 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.316 1.046 . . . . 0.0 113.512 173.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 7.9 t -135.38 -54.78 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 118.846 0.748 . . . . 0.0 112.933 -171.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 54.65 51.32 53.18 Favored Glycine 0 CA--C 1.535 1.341 0 N-CA-C 114.657 0.623 . . . . 0.0 114.657 178.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -51.67 148.93 9.0 Favored Pre-proline 0 CA--C 1.548 0.901 0 C-N-CA 124.164 0.986 . . . . 0.0 112.193 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -63.09 -31.54 75.72 Favored 'Trans proline' 0 CA--C 1.538 0.716 0 C-N-CA 122.043 1.829 . . . . 0.0 112.909 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.595 HG21 ' CG ' ' A' ' 43' ' ' TRP . 7.1 p -71.88 -28.18 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.708 0 N-CA-C 113.11 0.781 . . . . 0.0 113.11 174.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.53 -41.82 90.9 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 124.784 1.234 . . . . 0.0 111.239 173.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.2 -40.53 97.77 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 172.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -65.24 -36.11 83.12 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.996 0.918 . . . . 0.0 112.897 175.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.662 HG12 ' CD2' ' A' ' 40' ' ' HIS . 60.5 mt -68.46 -45.63 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 C-N-CA 123.693 0.797 . . . . 0.0 111.771 178.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.85 -29.16 70.53 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 119.348 0.976 . . . . 0.0 112.083 -178.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -40.26 96.22 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.837 1.655 . . . . 0.0 112.739 170.153 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.592 ' HB2' ' HE2' ' A' ' 40' ' ' HIS . 71.8 m-20 -75.13 -37.06 61.55 Favored 'General case' 0 CA--C 1.538 0.492 0 O-C-N 121.191 -0.943 . . . . 0.0 112.649 175.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.741 ' OE2' 'ZN ' ' A' ' 50' ' ' ' ZN' . 32.5 mm-40 -65.0 -13.82 58.81 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.315 -0.866 . . . . 0.0 113.158 169.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -70.18 -49.09 53.88 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 120.143 1.338 . . . . 0.0 111.861 172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.52 -42.07 61.48 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.582 0.753 . . . . 0.0 111.133 173.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.557 ' CD2' HG12 ' A' ' 33' ' ' ILE . 33.0 m170 -66.94 -1.87 4.57 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 116.215 1.932 . . . . 0.0 116.215 -178.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 45.5 mm -111.71 -40.09 3.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 125.323 1.449 . . . . 0.0 110.184 173.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.79 -48.92 74.97 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.307 -0.87 . . . . 0.0 111.735 173.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.0 m0 -64.76 -29.34 70.31 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.474 0.71 . . . . 0.0 112.475 173.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.53 -59.82 4.8 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.314 1.446 . . . . 0.0 111.646 176.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -62.68 -33.96 76.15 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.5 1.12 . . . . 0.0 111.51 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 66.9 m -60.49 -22.13 63.19 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.516 1.126 . . . . 0.0 113.484 170.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.35 -6.98 9.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.828 0 C-N-CA 125.818 1.647 . . . . 0.0 114.245 -177.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -70.24 -10.82 60.05 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.374 1.47 . . . . 0.0 114.532 176.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.206 0 C-N-CA 125.471 1.51 . . . . 0.0 112.981 -178.342 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . 0.741 'ZN ' ' OE2' ' B' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . 0.686 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.283 0 CA-C-O 121.278 0.561 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -147.56 -177.29 5.62 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.179 2.192 . . . . 0.0 109.326 -170.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.412 ' CE1' ' HB1' ' B' ' 21' ' ' ALA 0.253 1.8 p90 48.49 -7.93 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 120.005 3.335 . . . . 0.0 120.005 171.184 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.5 pp -56.2 -19.15 12.51 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 127.919 2.487 . . . . 0.0 115.321 -177.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -58.4 -34.28 70.57 Favored 'General case' 0 N--CA 1.47 0.545 0 O-C-N 121.0 -1.062 . . . . 0.0 113.842 171.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -70.1 -38.32 75.6 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 120.005 1.275 . . . . 0.0 112.488 178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mp -58.3 -55.86 29.53 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.246 1.419 . . . . 0.0 110.75 167.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -49.55 -50.11 43.45 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.246 0.546 . . . . 0.0 112.294 176.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.3 mttp -66.89 -3.63 7.42 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 116.151 1.908 . . . . 0.0 116.151 177.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -113.76 -35.73 5.07 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.915 1.286 . . . . 0.0 112.096 170.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -71.37 -40.31 70.68 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.89 1.276 . . . . 0.0 112.179 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -79.55 -18.77 51.05 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 121.207 -0.933 . . . . 0.0 113.453 173.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -72.81 -43.86 62.19 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.06 -1.025 . . . . 0.0 110.786 166.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.04 47.85 0.16 Allowed 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 126.876 2.07 . . . . 0.0 112.924 165.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 31.2 tpp -153.35 -53.36 0.11 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.217 1.807 . . . . 0.0 111.265 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -59.83 -43.51 94.51 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 118.732 0.696 . . . . 0.0 111.648 176.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.2 mt -70.41 -42.45 71.64 Favored 'General case' 0 C--O 1.235 0.3 0 C-N-CA 125.054 1.341 . . . . 0.0 111.672 175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.442 ' CE2' HD23 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -64.39 -27.97 69.37 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.656 0.783 . . . . 0.0 112.618 178.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ptt85 -95.37 -17.37 21.63 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.117 1.154 . . . . 0.0 114.117 177.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 -56.44 6.49 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.189 0.904 . . . . 0.0 111.217 171.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.68 50.45 1.15 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.114 1.766 . . . . 0.0 113.524 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.6 t -105.64 -50.9 3.1 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 123.959 0.904 . . . . 0.0 111.399 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -63.81 -38.17 90.12 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -72.54 -33.84 67.13 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.69 0.996 . . . . 0.0 113.69 175.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.4 t -93.36 -41.3 12.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 CA-C-N 118.474 0.579 . . . . 0.0 112.485 -171.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.43 -12.63 9.64 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.17 1.628 . . . . 0.0 117.17 171.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -66.96 136.72 94.43 Favored Pre-proline 0 CA--C 1.55 0.971 0 CA-C-N 119.802 1.801 . . . . 0.0 112.799 -179.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.29 -29.41 7.81 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.998 2.465 . . . . 0.0 113.875 -176.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -63.77 -27.82 43.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 O-C-N 120.999 -1.063 . . . . 0.0 112.746 177.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 tt -60.38 -41.35 93.59 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 125.775 1.63 . . . . 0.0 112.009 172.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.13 -32.77 73.29 Favored 'General case' 0 CA--C 1.546 0.804 0 O-C-N 121.61 -0.681 . . . . 0.0 112.692 170.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 46.3 tttm -65.0 -34.75 79.18 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 121.098 -1.001 . . . . 0.0 112.79 175.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.2 mt -66.7 -49.92 70.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 124.327 1.051 . . . . 0.0 111.611 169.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . 0.289 1.7 pp -64.85 -17.35 64.2 Favored 'General case' 0 CA--C 1.551 0.99 0 CA-C-N 120.873 1.67 . . . . 0.0 113.594 178.143 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -79.21 -43.85 23.03 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.549 1.539 . . . . 0.0 113.919 165.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 75.4 m-20 -64.52 -46.11 84.3 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.014 1.326 . . . . 0.0 112.777 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.89 -10.43 53.09 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.938 0.895 . . . . 0.0 113.094 -174.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -71.37 -48.07 52.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 112.278 170.428 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -59.43 -37.46 78.15 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.203 -0.936 . . . . 0.0 111.788 173.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -62.89 -11.46 18.51 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.165 1.542 . . . . 0.0 115.165 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 11.5 mm -107.17 -38.86 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 126.837 2.055 . . . . 0.0 109.596 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -61.13 -45.97 92.49 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.074 -1.016 . . . . 0.0 111.682 172.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 38.7 m0 -64.62 -32.59 74.31 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 123.885 0.874 . . . . 0.0 112.411 171.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.36 -50.74 68.72 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.707 1.203 . . . . 0.0 112.064 176.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -61.24 -39.6 90.9 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.228 1.411 . . . . 0.0 111.871 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.0 m -60.37 -36.05 77.14 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.552 0.741 . . . . 0.0 112.264 171.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 26.2 mt -75.29 -12.49 14.81 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 125.617 1.567 . . . . 0.0 113.777 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -71.67 -10.15 59.34 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 124.826 1.25 . . . . 0.0 113.987 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 C-N-CA 125.881 1.705 . . . . 0.0 114.137 179.46 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.9 tpt . . . . . 0 N--CA 1.486 1.349 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -67.44 168.55 10.6 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.582 0.628 . . . . 0.0 111.358 168.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -147.79 -50.95 0.18 Allowed 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 123.526 0.73 . . . . 0.0 111.099 164.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -46.25 -32.15 2.89 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.22 1.808 . . . . 0.0 115.156 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 77.7 mtt-85 -58.13 -42.67 86.32 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 120.615 -1.303 . . . . 0.0 114.043 176.289 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -64.67 -28.01 69.31 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 119.961 1.255 . . . . 0.0 112.417 179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.442 HD23 ' CE2' ' A' ' 18' ' ' TYR . 2.5 mp -74.26 -44.44 52.88 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.269 1.028 . . . . 0.0 111.397 174.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . 0.409 ' HA ' HD11 ' B' ' 44' ' ' LEU . 0.3 OUTLIER -53.92 -50.13 67.09 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 124.86 1.264 . . . . 0.0 112.256 171.532 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -72.83 8.05 1.7 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.301 1.44 . . . . 0.0 114.772 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 90.4 mt -114.31 -42.68 3.29 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.235 1.014 . . . . 0.0 112.333 162.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -69.34 -43.61 73.31 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 119.31 0.959 . . . . 0.0 111.961 -174.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.5 -31.91 65.74 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.229 -0.919 . . . . 0.0 113.024 174.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -61.11 -43.55 98.71 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.898 0.879 . . . . 0.0 112.02 173.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.81 -47.6 74.54 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 121.802 -0.561 . . . . 0.0 111.945 173.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 27.0 tpp -51.0 -41.69 59.92 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.763 1.225 . . . . 0.0 113.303 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -54.31 -40.77 68.25 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.312 0.856 . . . . 0.0 113.312 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 60.1 mt -79.75 -44.54 20.53 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 125.098 1.359 . . . . 0.0 111.178 179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -54.4 -39.37 67.21 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.884 1.274 . . . . 0.0 112.21 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 23.2 ptt85 -79.77 -24.9 41.18 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 113.546 0.943 . . . . 0.0 113.546 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -79.92 -51.19 9.4 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.738 0.78 . . . . 0.0 110.792 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.412 ' HB1' ' CE1' ' A' ' 3' ' ' TYR . . . -76.43 -15.96 59.8 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -171.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.0 t -52.62 -49.67 64.63 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 120.142 1.337 . . . . 0.0 113.837 -174.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -68.38 -12.29 60.91 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.031 1.122 . . . . 0.0 114.031 178.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -102.16 -35.5 8.88 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.35 1.46 . . . . 0.0 112.752 178.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -74.15 -39.7 50.34 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.887 0.875 . . . . 0.0 111.315 173.436 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.27 -20.78 3.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 125.216 1.389 . . . . 0.0 115.934 175.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -63.07 126.45 89.06 Favored Pre-proline 0 CA--C 1.551 0.984 0 CA-C-N 119.25 1.525 . . . . 0.0 111.671 177.231 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.96 -21.36 27.99 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.876 2.384 . . . . 0.0 115.036 -172.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.27 -24.36 27.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 CA-C-N 120.387 1.449 . . . . 0.0 112.593 -179.121 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.8 tt -56.93 -39.18 74.01 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 125.481 1.512 . . . . 0.0 112.17 172.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.04 -38.05 85.17 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.52 -0.738 . . . . 0.0 112.938 172.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -64.7 -35.47 81.14 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.996 0.918 . . . . 0.0 112.362 174.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.24 -47.56 92.53 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 123.692 0.797 . . . . 0.0 111.49 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -32.31 72.23 Favored 'General case' 0 CA--C 1.549 0.92 0 CA-C-N 119.361 0.982 . . . . 0.0 112.383 -177.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.88 -42.0 99.61 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.034 1.334 . . . . 0.0 112.759 173.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -65.42 -47.72 75.26 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.547 0.739 . . . . 0.0 111.403 171.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -69.99 -26.41 64.07 Favored 'General case' 0 CA--C 1.536 0.418 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.37 -52.2 49.25 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 120.366 1.439 . . . . 0.0 111.689 168.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.31 -37.09 69.45 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.713 1.605 . . . . 0.0 112.883 174.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 19.8 m170 -57.54 -29.42 64.36 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-O 117.344 -1.312 . . . . 0.0 114.205 177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.494 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 35.1 mm -75.74 -34.12 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 126.376 1.871 . . . . 0.0 110.949 -178.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -63.64 -47.08 82.79 Favored 'General case' 0 CA--C 1.536 0.438 0 O-C-N 121.182 -0.949 . . . . 0.0 109.971 171.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 45.4 m0 -61.61 -31.19 71.25 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.733 0.813 . . . . 0.0 112.729 169.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.494 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 2.1 tt -62.3 -49.97 73.51 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 123.72 0.808 . . . . 0.0 112.522 177.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -63.47 -33.65 76.04 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.609 -0.682 . . . . 0.0 111.734 175.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 18.3 m -55.99 -24.76 40.68 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 121.0 -1.063 . . . . 0.0 113.365 171.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.46 -10.11 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 CA-C-N 120.157 1.344 . . . . 0.0 113.223 178.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -69.47 -13.37 62.31 Favored 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 126.332 1.853 . . . . 0.0 114.025 169.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.258 0 C-N-CA 126.089 1.804 . . . . 0.0 114.207 -178.858 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.7 ttp . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 119.615 -0.231 . . . . 0.0 110.662 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 42.06 45.11 3.31 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 126.599 1.96 . . . . 0.0 116.084 166.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.149 ' CZ ' ' CB ' ' B' ' 21' ' ' ALA . 38.6 t80 -144.51 -69.16 0.3 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.267 1.027 . . . . 0.0 112.173 -176.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.519 ' H ' HD12 ' A' ' 4' ' ' LEU . 1.2 mp -55.82 -31.36 62.63 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 125.535 1.534 . . . . 0.0 114.683 -169.015 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mpt_? -54.29 -40.19 67.66 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.477 1.111 . . . . 0.0 113.263 176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -65.9 -34.83 79.03 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 119.227 0.921 . . . . 0.0 111.798 175.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.58 HD22 ' CD1' ' B' ' 18' ' ' TYR . 3.9 mp -71.38 -42.21 68.72 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.121 0.968 . . . . 0.0 112.086 177.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.1 -51.02 34.27 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.739 0.816 . . . . 0.0 112.413 163.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -70.0 8.32 0.76 Allowed 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 115.378 1.621 . . . . 0.0 115.378 174.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.526 ' CD1' HD12 ' B' ' 17' ' ' LEU . 83.0 mt -118.8 -42.14 2.74 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.915 1.686 . . . . 0.0 111.284 169.068 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -73.9 -47.2 39.63 Favored 'General case' 0 CA--C 1.538 0.481 0 C-N-CA 124.723 1.209 . . . . 0.0 111.866 -174.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -68.88 -33.74 74.27 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.396 -0.815 . . . . 0.0 112.085 173.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -60.61 -48.98 79.39 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.258 1.023 . . . . 0.0 111.706 172.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.77 -44.75 96.27 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 123.54 0.736 . . . . 0.0 112.439 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 34.3 tpp -53.84 -44.41 70.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.952 0.901 . . . . 0.0 112.811 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tmtp? -54.12 -40.24 67.17 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.527 1.131 . . . . 0.0 112.602 175.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.428 HD12 ' CD1' ' B' ' 10' ' ' LEU . 71.4 mt -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.333 -0.151 0 C-N-CA 125.052 1.341 . . . . 0.0 112.032 -178.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.502 ' CE1' HD21 ' B' ' 7' ' ' LEU . 11.7 m-85 -66.66 -31.65 72.47 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 118.521 -0.752 . . . . 0.0 112.315 -178.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -72.39 -33.72 67.4 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 119.873 1.215 . . . . 0.0 114.01 166.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.23 -53.7 15.91 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.511 1.124 . . . . 0.0 111.42 -175.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.27 -9.65 58.47 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.869 1.267 . . . . 0.0 114.231 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.0 t -56.13 -51.08 69.23 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.627 1.103 . . . . 0.0 113.412 -174.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -61.78 -36.53 81.35 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.931 0.892 . . . . 0.0 112.159 176.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.3 tpt85 -80.28 -28.62 38.3 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.454 1.102 . . . . 0.0 113.632 -176.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.707 HG22 ' OH ' ' B' ' 3' ' ' TYR . 78.1 t -93.42 -44.98 13.88 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 124.339 1.056 . . . . 0.0 111.792 -179.208 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.05 -10.03 4.82 Favored Glycine 0 CA--C 1.542 1.746 0 N-CA-C 117.251 1.66 . . . . 0.0 117.251 173.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -63.29 139.72 97.6 Favored Pre-proline 0 CA--C 1.547 0.839 0 CA-C-N 119.885 1.843 . . . . 0.0 112.205 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -73.96 -27.29 12.28 Favored 'Trans proline' 0 CA--C 1.536 0.619 0 C-N-CA 122.883 2.389 . . . . 0.0 113.443 -176.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -68.12 -20.12 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 CA-C-N 119.863 1.21 . . . . 0.0 113.324 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 mp -56.06 -35.19 66.68 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.953 -1.092 . . . . 0.0 112.455 167.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.87 78.5 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 118.833 0.742 . . . . 0.0 112.593 175.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 21.6 tptm -75.72 -39.69 56.87 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.835 0.854 . . . . 0.0 112.204 174.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.6 mt -57.0 -49.03 80.65 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.821 0 C-N-CA 123.747 0.819 . . . . 0.0 110.309 173.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 40.7 mt -56.06 -44.13 78.59 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 124.882 1.273 . . . . 0.0 112.815 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.72 -42.13 92.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 125.333 1.453 . . . . 0.0 111.971 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -64.83 -46.45 81.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.053 0.541 . . . . 0.0 111.651 174.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.8 mm-40 -64.82 -20.64 66.5 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.299 1.222 . . . . 0.0 114.299 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -65.73 -47.32 75.7 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.442 1.474 . . . . 0.0 112.232 171.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -59.67 -35.29 74.16 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.498 0.719 . . . . 0.0 111.379 175.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -69.05 -3.21 12.27 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 115.784 1.772 . . . . 0.0 115.784 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.3 mm -113.62 -37.79 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.718 1.607 . . . . 0.0 109.967 172.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.8 mm-40 -57.59 -48.66 78.77 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.328 -0.857 . . . . 0.0 111.479 171.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.0 m0 -75.36 -30.33 60.18 Favored 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 123.653 0.781 . . . . 0.0 112.737 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -50.5 -59.29 4.17 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.429 1.092 . . . . 0.0 111.163 168.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -59.13 -42.76 91.4 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 124.4 1.08 . . . . 0.0 111.996 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.0 m -59.48 -43.54 93.26 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.932 0.893 . . . . 0.0 112.307 176.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -82.35 -22.1 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 C-N-CA 124.632 1.173 . . . . 0.0 113.432 -177.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 57.2 t30 -73.12 -11.51 60.56 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.439 1.896 . . . . 0.0 113.736 175.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 C-N-CA 126.587 2.041 . . . . 0.0 114.755 175.87 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 62.1 ttp . . . . . 0 N--CA 1.486 1.33 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -138.81 -17.51 1.09 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 -159.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.707 ' OH ' HG22 ' A' ' 25' ' ' VAL . 45.4 p90 -74.56 -23.19 58.74 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.976 1.31 . . . . 0.0 114.39 -173.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.64 -36.94 85.9 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.546 1.539 . . . . 0.0 112.722 -177.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 75.6 mtp85 -68.72 -42.1 78.14 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.001 0.921 . . . . 0.0 112.375 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -59.34 -40.58 86.82 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 118.971 0.805 . . . . 0.0 111.001 171.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.502 HD21 ' CE1' ' A' ' 18' ' ' TYR . 2.1 mp -55.5 -55.17 34.94 Favored 'General case' 0 N--CA 1.461 0.108 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 171.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -48.15 -52.34 21.03 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 113.11 0.782 . . . . 0.0 113.11 168.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -68.04 5.81 0.85 Allowed 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.443 1.646 . . . . 0.0 115.443 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.428 ' CD1' HD12 ' A' ' 17' ' ' LEU . 82.1 mt -118.06 -44.92 2.68 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 126.176 1.79 . . . . 0.0 111.657 169.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -71.13 -45.71 63.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 118.92 0.782 . . . . 0.0 111.285 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.9 -35.33 79.76 Favored 'General case' 0 CA--C 1.535 0.379 0 O-C-N 121.438 -0.789 . . . . 0.0 112.85 173.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 -58.65 -49.1 78.77 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.839 0.856 . . . . 0.0 111.403 172.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.39 -45.84 92.12 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 174.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.26 -49.03 70.46 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 177.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -59.05 -33.0 70.27 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 124.539 1.136 . . . . 0.0 112.931 -177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.526 HD12 ' CD1' ' A' ' 10' ' ' LEU . 79.4 mt -83.66 -39.22 20.49 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 125.864 1.666 . . . . 0.0 112.273 178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.58 ' CD1' HD22 ' A' ' 7' ' ' LEU . 3.9 m-85 -64.87 -41.65 95.48 Favored 'General case' 0 CA--C 1.532 0.275 0 O-C-N 123.337 0.398 . . . . 0.0 110.237 -175.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 35.2 ptt180 -65.87 -36.43 83.42 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 113.301 0.852 . . . . 0.0 113.301 172.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -59.2 -50.24 74.79 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 124.139 0.975 . . . . 0.0 111.288 179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 1.149 ' CB ' ' CZ ' ' A' ' 3' ' ' TYR . . . -69.68 -41.6 75.26 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.076 173.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.5 t -54.66 -45.19 73.79 Favored 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.054 1.297 . . . . 0.0 112.681 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -64.27 -2.9 2.39 Favored 'General case' 0 CA--C 1.55 0.975 0 C-N-CA 125.761 1.625 . . . . 0.0 115.266 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -125.65 -39.37 2.15 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.599 1.56 . . . . 0.0 113.247 177.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 89.7 t -83.63 -37.33 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 126.022 1.729 . . . . 0.0 111.741 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.78 1.47 54.49 Favored Glycine 0 CA--C 1.541 1.663 0 N-CA-C 117.085 1.594 . . . . 0.0 117.085 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -65.93 136.56 95.68 Favored Pre-proline 0 CA--C 1.547 0.854 0 CA-C-N 119.917 1.859 . . . . 0.0 112.268 178.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.53 -36.05 9.39 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.657 2.238 . . . . 0.0 113.59 -171.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 1.6 p -70.47 -23.42 24.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 CA-C-N 119.548 1.067 . . . . 0.0 112.679 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.15 -42.87 99.53 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.396 1.078 . . . . 0.0 111.387 169.324 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.59 88.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.532 -0.73 . . . . 0.0 112.284 170.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -60.65 -36.51 78.86 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 120.934 -1.104 . . . . 0.0 112.995 175.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 57.1 mt -61.64 -51.5 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 123.083 0.553 . . . . 0.0 110.763 174.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.23 -25.69 62.59 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 -177.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -61.9 -35.06 77.26 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 125.229 1.412 . . . . 0.0 112.38 172.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -71.1 -43.75 67.07 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 122.974 0.51 . . . . 0.0 111.952 172.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -62.26 -23.53 66.74 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 113.671 0.989 . . . . 0.0 113.671 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -57.76 -43.53 85.55 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.151 0.98 . . . . 0.0 112.356 173.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.29 -42.31 99.05 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.085 0.554 . . . . 0.0 110.945 172.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -67.98 -9.52 46.17 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.681 1.734 . . . . 0.0 115.681 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 tp -114.79 -33.16 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 126.081 1.753 . . . . 0.0 110.465 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.6 -51.83 66.88 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.041 0.936 . . . . 0.0 111.36 167.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 44.7 m0 -67.32 -31.25 71.41 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 123.464 0.706 . . . . 0.0 112.632 176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.52 -52.9 60.55 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.383 1.073 . . . . 0.0 111.883 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.58 -43.6 84.73 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.652 1.181 . . . . 0.0 112.46 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 28.9 m -61.14 -44.92 96.58 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.208 1.003 . . . . 0.0 111.98 172.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 69.1 mt -70.17 -16.54 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 125.401 1.481 . . . . 0.0 113.585 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -100.59 11.3 39.78 Favored 'General case' 0 CA--C 1.549 0.907 0 C-N-CA 127.596 2.358 . . . . 0.0 113.192 178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.201 0 C-N-CA 125.533 1.54 . . . . 0.0 113.532 176.441 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 mtm . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 120.919 0.39 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -167.48 -34.11 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 125.179 1.392 . . . . 0.0 112.98 -179.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.781 ' CE2' ' HB2' ' B' ' 21' ' ' ALA . 51.0 p90 -49.99 -19.84 0.8 Allowed 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 127.115 2.166 . . . . 0.0 115.763 -178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.502 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -79.75 -21.07 44.93 Favored 'General case' 0 CA--C 1.513 -0.444 0 C-N-CA 126.065 1.746 . . . . 0.0 114.884 179.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.7 ttt-85 -60.96 -40.15 92.29 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.023 0.829 . . . . 0.0 110.838 160.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.9 -12.16 58.49 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.135 1.774 . . . . 0.0 114.725 170.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 4' ' ' LEU . 12.6 mt -95.42 -47.16 6.39 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.1 1.36 . . . . 0.0 111.539 171.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 -47.89 62.32 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 125.477 1.511 . . . . 0.0 112.646 173.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -3.85 2.39 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 115.809 1.781 . . . . 0.0 115.809 173.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.816 HD11 ' HB2' ' B' ' 14' ' ' ALA . 0.1 OUTLIER -120.59 -42.53 2.53 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.245 1.818 . . . . 0.0 111.418 -177.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -72.59 -45.54 58.63 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 120.144 1.338 . . . . 0.0 111.393 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.07 -28.49 62.34 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.443 -0.785 . . . . 0.0 112.575 174.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -45.6 80.0 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 121.325 -0.859 . . . . 0.0 111.38 168.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.5 -38.1 89.84 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.045 0.938 . . . . 0.0 112.531 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.6 ttm -52.52 -45.1 66.14 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.88 1.218 . . . . 0.0 112.327 173.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 ttpt -58.18 -29.42 65.62 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.704 1.602 . . . . 0.0 113.293 176.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 78.0 mt -93.36 -35.74 12.88 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 125.594 1.557 . . . . 0.0 111.432 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.523 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 25.4 m-85 -55.55 -48.94 73.93 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 118.423 0.556 . . . . 0.0 110.998 171.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -66.71 -34.28 77.5 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 177.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -74.67 -47.53 31.24 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-O 121.516 0.674 . . . . 0.0 111.746 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' ' CE1' ' B' ' 3' ' ' TYR . . . -58.61 -42.84 89.08 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.432 1.093 . . . . 0.0 111.734 172.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -53.09 -43.07 66.5 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.143 0.883 . . . . 0.0 113.292 177.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.68 -26.45 63.85 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -106.01 -38.02 6.45 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 124.667 1.187 . . . . 0.0 113.637 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.5 t -76.31 -36.2 29.1 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.2 1.4 . . . . 0.0 111.564 -179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.23 7.59 72.46 Favored Glycine 0 CA--C 1.538 1.501 0 N-CA-C 116.427 1.331 . . . . 0.0 116.427 172.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -81.44 137.02 48.56 Favored Pre-proline 0 CA--C 1.547 0.841 0 CA-C-N 119.457 1.629 . . . . 0.0 112.453 -178.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -69.81 -33.71 15.86 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 122.99 2.46 . . . . 0.0 113.17 -177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -65.23 -25.58 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 O-C-N 121.256 -0.903 . . . . 0.0 112.491 176.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.66 -43.08 94.76 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 120.96 -1.087 . . . . 0.0 111.537 172.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.61 89.36 Favored 'General case' 0 CA--C 1.544 0.723 0 O-C-N 121.416 -0.802 . . . . 0.0 112.334 172.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -63.75 -30.17 71.3 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.71 0.804 . . . . 0.0 113.104 173.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 62.1 mt -69.99 -40.52 78.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 118.391 0.541 . . . . 0.0 111.954 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -29.35 70.69 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 118.893 0.769 . . . . 0.0 112.255 173.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -40.26 78.14 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.632 -1.292 . . . . 0.0 113.571 171.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -70.51 -45.1 66.24 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.192 -0.942 . . . . 0.0 112.431 178.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -64.61 -12.3 44.08 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 0.0 112.63 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -68.85 -51.22 42.8 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 120.319 -1.488 . . . . 0.0 111.486 176.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.2 mptt -60.66 -35.48 76.35 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.033 0.533 . . . . 0.0 111.768 176.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.476 ' CE1' HG23 ' B' ' 33' ' ' ILE . 29.4 m170 -57.73 -22.52 47.04 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 117.174 -1.393 . . . . 0.0 114.288 178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.45 -42.22 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.027 0 C-N-CA 126.653 1.981 . . . . 0.0 111.146 -177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -61.69 -43.69 98.38 Favored 'General case' 0 N--CA 1.475 0.777 0 O-C-N 121.101 -1.0 . . . . 0.0 110.593 172.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.4 m0 -65.96 -32.25 73.64 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.437 0.695 . . . . 0.0 112.657 171.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.56 -58.57 7.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 119.404 1.002 . . . . 0.0 111.617 172.083 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -62.31 -39.88 94.49 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.726 1.21 . . . . 0.0 111.385 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 85.6 m -59.18 -43.77 92.18 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.913 0.885 . . . . 0.0 112.431 174.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.15 -8.15 10.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -174.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -75.99 -12.31 60.11 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 126.266 1.826 . . . . 0.0 113.169 172.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.235 0 C-N-CA 126.206 1.86 . . . . 0.0 114.423 176.318 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 5.4 mtp . . . . . 0 N--CA 1.488 1.46 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -156.21 -47.28 0.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 177.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.456 ' CE1' ' HB2' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -126.64 -53.18 1.46 Allowed 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.053 0.941 . . . . 0.0 111.047 -172.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.1 -25.63 32.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.151 1.38 . . . . 0.0 113.708 167.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.32 -48.71 55.31 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.117 0.967 . . . . 0.0 111.707 -178.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -53.85 -40.27 66.36 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.29 0.95 . . . . 0.0 111.448 170.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.425 HD21 ' CD1' ' A' ' 18' ' ' TYR . 0.9 OUTLIER -66.29 -51.66 55.18 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.401 1.08 . . . . 0.0 112.697 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.87 -49.19 20.68 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 126.323 1.849 . . . . 0.0 112.663 167.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -74.44 4.24 6.27 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 67.2 mt -107.57 -41.41 5.05 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.511 1.524 . . . . 0.0 111.672 162.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.523 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 7.9 mm-40 -69.28 -46.34 67.46 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.508 1.123 . . . . 0.0 113.786 -177.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -68.72 -36.02 77.88 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.013 -1.055 . . . . 0.0 111.571 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -57.93 -47.41 82.95 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 124.58 1.152 . . . . 0.0 111.836 170.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.816 ' HB2' HD11 ' A' ' 10' ' ' LEU . . . -58.15 -50.95 71.73 Favored 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 124.293 1.037 . . . . 0.0 111.395 173.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.1 ttm -56.29 -39.37 72.57 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.816 0.846 . . . . 0.0 113.055 -177.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 tttp -54.82 -39.61 68.7 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.289 1.036 . . . . 0.0 113.194 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 32.0 mt -85.78 -43.75 13.07 Favored 'General case' 0 C--O 1.231 0.116 0 C-N-CA 126.694 1.997 . . . . 0.0 111.421 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -52.58 -48.22 66.38 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 124.458 1.103 . . . . 0.0 111.603 175.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.74 -28.04 62.4 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 177.367 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -62.88 -49.78 73.5 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 119.254 0.934 . . . . 0.0 110.675 173.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.781 ' HB2' ' CE2' ' A' ' 3' ' ' TYR . . . -60.25 -35.89 76.53 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.167 0.987 . . . . 0.0 112.834 172.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -64.26 -42.51 96.44 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 121.41 -0.806 . . . . 0.0 112.97 173.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -66.61 -35.48 80.3 Favored 'General case' 0 N--CA 1.473 0.684 0 O-C-N 121.468 -0.77 . . . . 0.0 112.866 172.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 33.1 ttt180 -77.61 -27.08 51.09 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 -178.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 44.4 t -143.82 -56.17 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 124.831 1.252 . . . . 0.0 112.273 -176.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.21 45.68 38.5 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.5 0.96 . . . . 0.0 115.5 173.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.26 150.62 15.55 Favored Pre-proline 0 CA--C 1.552 1.026 0 CA-C-N 118.067 0.933 . . . . 0.0 113.056 173.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -67.07 -41.03 10.43 Favored 'Trans proline' 0 C--N 1.348 0.543 0 C-N-CA 122.437 2.091 . . . . 0.0 113.111 -173.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 p -67.95 -28.26 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 O-C-N 121.288 -0.883 . . . . 0.0 112.206 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -49.96 75.82 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.759 0.823 . . . . 0.0 110.232 169.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.99 -40.29 84.4 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 175.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -64.45 -25.17 67.89 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.861 1.06 . . . . 0.0 113.861 173.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.476 HG23 ' CE1' ' A' ' 40' ' ' HIS . 30.3 mt -76.41 -46.03 33.09 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 CA-C-N 118.304 0.502 . . . . 0.0 112.112 179.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 51.9 mt -59.52 -27.75 66.46 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.892 0.877 . . . . 0.0 112.454 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -58.84 -38.92 79.78 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 126.167 1.787 . . . . 0.0 112.569 177.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -79.75 -47.87 14.54 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.251 1.02 . . . . 0.0 111.442 171.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -67.62 -23.61 65.38 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.068 1.747 . . . . 0.0 114.239 -170.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -73.2 -38.62 66.04 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.304 1.042 . . . . 0.0 112.586 168.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -79.31 -31.12 43.13 Favored 'General case' 0 N--CA 1.464 0.275 0 C-N-CA 126.579 1.951 . . . . 0.0 111.427 -173.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -43.67 -34.93 1.61 Allowed 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 126.899 2.08 . . . . 0.0 114.663 170.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.432 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 45.8 mm -74.62 -38.58 45.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 128.353 2.661 . . . . 0.0 111.665 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -63.24 -45.41 91.7 Favored 'General case' 0 N--CA 1.471 0.618 0 O-C-N 121.443 -0.785 . . . . 0.0 109.744 174.337 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 42.2 m0 -65.96 -32.74 74.4 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.3 tt -59.0 -52.14 67.05 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.482 1.037 . . . . 0.0 112.084 176.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -63.24 -40.1 96.49 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.841 0.856 . . . . 0.0 111.61 175.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 87.1 m -58.98 -31.28 68.62 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.077 0.951 . . . . 0.0 112.851 173.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -63.59 -9.71 5.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -69.29 -11.35 60.74 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 125.688 1.595 . . . . 0.0 114.519 175.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.461 0 C-N-CA 126.84 2.162 . . . . 0.0 115.61 179.176 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.1 ttp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 119.315 -0.374 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -161.57 -46.17 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 118.662 0.665 . . . . 0.0 112.647 160.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.775 ' CD1' ' HB2' ' B' ' 21' ' ' ALA . 59.1 m-85 -48.72 -53.48 18.74 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 124.649 1.18 . . . . 0.0 112.306 -174.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.4 pp -45.46 -29.7 1.19 Allowed 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 127.217 2.207 . . . . 0.0 114.42 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.1 mtp-105 -67.47 -43.1 81.83 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 120.551 1.523 . . . . 0.0 113.325 174.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -61.04 -40.08 92.26 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.829 1.195 . . . . 0.0 111.565 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.837 HD22 ' CE1' ' B' ' 18' ' ' TYR . 1.1 mt -68.74 -45.59 71.06 Favored 'General case' 0 C--O 1.219 -0.545 0 C-N-CA 123.124 0.569 . . . . 0.0 111.91 177.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.469 ' CD2' HD13 ' A' ' 44' ' ' LEU . 0.8 OUTLIER -55.16 -47.79 74.64 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.533 1.06 . . . . 0.0 112.226 171.44 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -70.63 9.8 0.59 Allowed 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.861 1.664 . . . . 0.0 114.452 174.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.2 mt -125.05 -46.66 1.81 Allowed 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.06 1.744 . . . . 0.0 112.041 169.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -71.39 -53.98 12.26 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.623 1.569 . . . . 0.0 110.878 -177.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -60.38 -38.33 83.56 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.18 -0.95 . . . . 0.0 112.748 171.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -34.91 78.03 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 112.993 0.738 . . . . 0.0 112.993 173.259 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.581 ' HB2' ' CD2' ' B' ' 10' ' ' LEU . . . -75.19 -34.39 61.51 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.249 1.02 . . . . 0.0 113.203 172.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -30.06 61.41 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 119.192 0.905 . . . . 0.0 112.307 178.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -56.4 -51.47 68.25 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.573 1.149 . . . . 0.0 113.25 167.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.9 mt -70.43 -42.72 71.21 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 125.125 1.37 . . . . 0.0 111.76 -179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -55.29 -39.48 69.94 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.761 1.624 . . . . 0.0 111.86 177.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -82.02 -27.27 33.16 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 119.226 0.921 . . . . 0.0 112.801 177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -71.59 -45.74 61.32 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 124.12 0.968 . . . . 0.0 111.809 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.58 -33.08 73.27 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.921 0.888 . . . . 0.0 112.743 170.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 t -61.19 -43.82 98.27 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.652 0.781 . . . . 0.0 112.222 173.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -66.21 -26.31 67.33 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.568 0.951 . . . . 0.0 113.568 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.8 mtt180 -81.46 -38.48 26.32 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 171.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 61.2 t -138.29 -60.98 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 124.004 0.922 . . . . 0.0 112.74 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.03 53.0 28.92 Favored Glycine 0 CA--C 1.537 1.428 0 CA-C-N 118.683 0.674 . . . . 0.0 114.232 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.9 153.94 5.52 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.329 1.051 . . . . 0.0 113.161 172.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -68.16 -37.89 13.5 Favored 'Trans proline' 0 CA--C 1.536 0.61 0 C-N-CA 122.491 2.128 . . . . 0.0 112.981 -170.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -74.03 -26.67 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 121.784 -0.573 . . . . 0.0 112.184 174.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.75 -46.44 89.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.267 1.027 . . . . 0.0 110.481 173.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.41 -36.85 76.63 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 174.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -64.55 -38.41 90.93 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.921 0.888 . . . . 0.0 112.457 172.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 ' CE1' ' B' ' 40' ' ' HIS . 68.4 mt -66.46 -39.84 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 124.399 1.08 . . . . 0.0 112.796 175.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.1 mt -51.81 -45.6 63.97 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 120.422 1.464 . . . . 0.0 110.522 170.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.27 -41.2 81.4 Favored 'General case' 0 CA--C 1.532 0.271 0 C-N-CA 125.453 1.501 . . . . 0.0 113.252 -179.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -62.36 -44.86 95.48 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.627 -0.67 . . . . 0.0 111.782 171.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.438 ' OE2' ' CE1' ' B' ' 40' ' ' HIS . 24.0 mm-40 -71.79 -19.74 61.96 Favored 'General case' 0 CA--C 1.548 0.888 0 O-C-N 121.162 -0.962 . . . . 0.0 112.847 178.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -65.28 -50.76 64.51 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.838 -1.164 . . . . 0.0 112.217 170.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.83 -38.43 82.01 Favored 'General case' 0 N--CA 1.477 0.891 0 O-C-N 120.853 -1.155 . . . . 0.0 111.675 176.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -65.21 -1.93 2.61 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 116.284 1.957 . . . . 0.0 116.284 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.1 tp -108.95 -33.42 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 125.705 1.602 . . . . 0.0 111.187 177.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -68.27 -54.8 15.11 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.987 -0.446 . . . . 0.0 109.907 171.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.667 ' CD2' HG21 ' B' ' 29' ' ' VAL . 28.9 m0 -58.13 -37.51 74.74 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.206 0.602 . . . . 0.0 112.463 176.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.469 HD13 ' CD2' ' A' ' 8' ' ' TYR . 1.1 tt -47.29 -55.27 9.05 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 125.207 1.403 . . . . 0.0 112.966 -177.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -89.01 -39.11 13.91 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 124.104 0.962 . . . . 0.0 112.154 -178.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.1 m -58.58 -19.04 34.87 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.608 1.163 . . . . 0.0 113.489 175.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' B' ' 27' ' ' ASP . 5.0 mt -54.19 -22.68 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 125.189 1.396 . . . . 0.0 113.857 168.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -143.52 15.22 1.81 Allowed 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 126.484 1.914 . . . . 0.0 113.618 -178.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.291 0 C-N-CA 126.69 2.091 . . . . 0.0 114.901 -176.447 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtp . . . . . 0 N--CA 1.489 1.477 0 CA-C-O 119.348 -0.358 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -130.83 120.87 24.34 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.593 1.157 . . . . 0.0 111.245 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -142.8 -68.82 0.35 Allowed 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.169 1.388 . . . . 0.0 108.921 171.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -37.16 2.53 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 126.86 2.064 . . . . 0.0 114.6 178.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 65.1 mtt85 -54.55 -45.11 73.39 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.406 1.912 . . . . 0.0 113.897 173.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.58 -16.55 62.85 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.325 1.05 . . . . 0.0 113.49 177.088 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.42 ' HA ' HD23 ' B' ' 10' ' ' LEU . 1.3 mp -96.44 -44.29 7.26 Favored 'General case' 0 C--O 1.221 -0.426 0 C-N-CA 124.6 1.16 . . . . 0.0 111.745 174.158 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -52.93 -50.99 62.9 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.571 1.548 . . . . 0.0 111.994 173.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 4.2 pttp -74.03 5.63 4.12 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.767 1.395 . . . . 0.0 114.767 175.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.581 ' CD2' ' HB2' ' A' ' 14' ' ' ALA . 0.1 OUTLIER -106.19 -46.73 3.99 Favored 'General case' 0 C--O 1.22 -0.483 0 C-N-CA 127.355 2.262 . . . . 0.0 108.558 169.373 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -77.79 -40.33 40.99 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 119.006 0.821 . . . . 0.0 110.086 -166.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.59 -34.56 77.27 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.9 0.88 . . . . 0.0 112.253 170.378 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -67.16 -51.36 54.71 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.955 1.302 . . . . 0.0 112.068 175.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.37 89.88 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.728 1.211 . . . . 0.0 111.968 175.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -54.53 -45.74 73.45 Favored 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 119.715 1.143 . . . . 0.0 112.465 175.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 42.5 mtpt -53.23 -44.99 68.53 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 118.909 0.777 . . . . 0.0 112.308 174.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 41.7 mt -72.45 -44.49 62.28 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 124.33 1.052 . . . . 0.0 111.387 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.837 ' CE1' HD22 ' A' ' 7' ' ' LEU . 4.1 m-85 -54.05 -41.14 67.77 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.834 1.654 . . . . 0.0 112.052 175.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -80.85 -28.27 36.14 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 178.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -76.41 -51.34 12.03 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 122.371 1.081 . . . . 0.0 111.374 -177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.775 ' HB2' ' CD1' ' A' ' 3' ' ' TYR . . . -74.43 48.12 0.33 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 127.313 2.245 . . . . 0.0 113.927 175.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.6 t -109.67 -50.68 2.96 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 121.377 -0.827 . . . . 0.0 111.791 -178.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -65.14 -35.03 79.83 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 112.945 0.72 . . . . 0.0 112.945 -179.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 21.7 mtp85 -76.34 -37.17 57.7 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 174.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 60.3 t -77.44 -43.8 30.26 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 CA-C-N 118.528 0.604 . . . . 0.0 112.177 -177.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.75 43.78 97.25 Favored Glycine 0 CA--C 1.538 1.471 0 N-CA-C 115.374 0.91 . . . . 0.0 115.374 174.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.429 ' CG ' HG12 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -115.11 137.95 23.23 Favored Pre-proline 0 N--CA 1.476 0.846 0 CA-C-N 118.501 1.15 . . . . 0.0 112.154 -178.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -71.98 -32.2 11.43 Favored 'Trans proline' 0 C--N 1.351 0.688 0 C-N-CA 122.773 2.316 . . . . 0.0 112.504 -178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.667 HG21 ' CD2' ' A' ' 43' ' ' TRP . 8.9 p -64.41 -31.89 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 O-C-N 121.699 -0.626 . . . . 0.0 111.861 175.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.3 -40.92 83.27 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.739 -1.226 . . . . 0.0 112.743 175.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.19 -39.03 86.3 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.438 0.695 . . . . 0.0 112.676 172.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 9.7 tptt -61.59 -37.12 82.73 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 124.878 1.271 . . . . 0.0 112.379 174.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.454 HG21 ' CE1' ' B' ' 18' ' ' TYR . 44.3 mt -66.13 -35.99 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 C-N-CA 125.262 1.425 . . . . 0.0 111.895 175.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -33.65 72.74 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 120.429 1.468 . . . . 0.0 112.947 172.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -43.84 69.06 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 124.985 1.314 . . . . 0.0 112.846 173.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.92 -47.17 75.65 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.381 -0.825 . . . . 0.0 112.161 176.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -67.69 -10.69 54.6 Favored 'General case' 0 CA--C 1.55 0.946 0 C-N-CA 123.742 0.817 . . . . 0.0 112.946 176.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -73.33 -53.27 11.21 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.13 -0.981 . . . . 0.0 112.531 174.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.05 -32.96 74.44 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 120.892 -1.13 . . . . 0.0 112.314 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.441 ' CE1' HG23 ' A' ' 33' ' ' ILE . 2.3 m170 -58.48 -1.31 0.13 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 130.343 3.457 . . . . 0.0 118.097 175.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -117.22 -26.08 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 CA-C-N 120.451 1.478 . . . . 0.0 110.935 173.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -71.08 -55.5 8.09 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 123.79 0.836 . . . . 0.0 110.208 169.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -59.75 -34.06 72.46 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.873 0.869 . . . . 0.0 112.254 176.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.8 tt -51.11 -51.04 57.36 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 126.004 1.722 . . . . 0.0 112.789 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -75.74 -32.23 59.91 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 50.5 m -55.18 -30.51 60.06 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.705 0.802 . . . . 0.0 112.731 172.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 33.1 mm -57.44 -18.3 8.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 114.783 1.401 . . . . 0.0 114.783 171.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 35.7 t30 -92.24 2.49 56.59 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 125.911 1.684 . . . . 0.0 114.091 176.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 C-N-CA 125.668 1.604 . . . . 0.0 113.177 -177.397 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.414 0 N-CA-C 111.509 0.188 . . . . 0.0 111.509 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -128.57 -59.24 1.15 Allowed 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.032 0.933 . . . . 0.0 111.746 177.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.406 ' HE1' HG22 ' B' ' 25' ' ' VAL . 0.1 OUTLIER -170.68 -150.26 0.07 Allowed 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 126.963 2.105 . . . . 0.0 107.904 173.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.5 mt -48.55 -27.15 2.57 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 129.213 3.005 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 31.2 ttp180 -56.85 -44.82 82.52 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 118.681 0.673 . . . . 0.0 112.414 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.7 -35.11 79.82 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.563 1.074 . . . . 0.0 112.151 178.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mp -64.65 -44.4 90.56 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.601 0.637 . . . . 0.0 112.033 172.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -52.62 -51.39 60.23 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 123.995 0.918 . . . . 0.0 111.867 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -67.6 1.2 2.54 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 115.473 1.657 . . . . 0.0 115.473 176.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 56.8 mt -111.51 -40.31 4.4 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 125.539 1.536 . . . . 0.0 111.753 168.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.55 -44.4 67.53 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.322 1.049 . . . . 0.0 112.117 -178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.51 -31.19 70.26 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.162 -0.961 . . . . 0.0 112.3 173.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -63.13 -45.53 91.52 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.757 0.823 . . . . 0.0 111.561 170.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.71 94.44 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 173.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -40.54 72.79 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 121.054 -1.029 . . . . 0.0 113.671 177.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -58.47 -43.74 89.02 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.474 0.71 . . . . 0.0 112.547 173.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -69.21 -38.85 78.78 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 123.962 0.905 . . . . 0.0 111.527 -179.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.557 ' OH ' ' CD ' ' B' ' 11' ' ' GLU . 20.0 m-85 -61.49 -38.26 86.65 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 177.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -76.29 -29.44 57.39 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 120.061 1.3 . . . . 0.0 113.057 174.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -65.53 -48.56 72.05 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 122.13 0.967 . . . . 0.0 111.125 174.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.76 -30.89 71.61 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.126 0.97 . . . . 0.0 113.1 173.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -64.88 -46.48 81.61 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.94 -1.1 . . . . 0.0 112.379 171.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -59.39 -37.82 78.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.267 1.027 . . . . 0.0 112.179 174.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.472 HH11 ' HB2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -88.43 -29.18 20.39 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 -175.741 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 45.6 t -138.48 -50.16 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 124.478 1.111 . . . . 0.0 112.254 -174.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.47 35.08 91.23 Favored Glycine 0 CA--C 1.537 1.427 0 N-CA-C 115.257 0.863 . . . . 0.0 115.257 175.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.597 ' HB3' HD11 ' B' ' 47' ' ' ILE . 12.1 t70 -54.98 140.73 60.99 Favored Pre-proline 0 CA--C 1.552 1.027 0 C-N-CA 124.027 0.931 . . . . 0.0 111.559 174.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.34 -35.69 96.16 Favored 'Trans proline' 0 CA--C 1.536 0.603 0 C-N-CA 122.381 2.054 . . . . 0.0 115.086 -173.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 1.036 ' CG2' ' CD2' ' B' ' 43' ' ' TRP . 2.5 p -71.9 -27.42 27.53 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-N 120.678 1.581 . . . . 0.0 112.069 176.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.33 -44.08 95.94 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.589 1.156 . . . . 0.0 111.331 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.99 -38.12 89.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.467 0.707 . . . . 0.0 112.772 173.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -63.77 -35.45 80.65 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 121.442 -0.786 . . . . 0.0 112.833 171.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.722 HG12 ' CD2' ' B' ' 40' ' ' HIS . 37.2 mt -64.92 -53.74 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 117.911 0.323 . . . . 0.0 111.2 -178.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.0 pp -66.32 -20.99 66.25 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 113.987 1.106 . . . . 0.0 113.987 -176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -65.8 -41.67 91.63 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 125.012 1.325 . . . . 0.0 112.733 171.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -71.25 -43.07 67.95 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.688 0.795 . . . . 0.0 111.352 169.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -66.63 -18.06 65.17 Favored 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 124.761 1.224 . . . . 0.0 113.87 -171.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -75.03 -46.77 32.75 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.064 -1.023 . . . . 0.0 113.515 168.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -60.1 -36.57 77.72 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.61 -1.306 . . . . 0.0 110.939 176.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.662 ' CE1' HG23 ' B' ' 33' ' ' ILE . 2.0 m-70 -54.69 -6.59 0.12 Allowed 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 128.868 2.867 . . . . 0.0 117.236 167.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 1.4 tp -114.33 -35.45 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 CA-C-N 120.587 1.54 . . . . 0.0 110.234 176.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -64.52 -52.13 59.39 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 118.502 0.592 . . . . 0.0 110.999 170.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 42.1 m0 -61.02 -43.29 99.11 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.355 0.662 . . . . 0.0 111.594 175.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 63.1 tp -64.3 -35.28 80.33 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 124.56 1.144 . . . . 0.0 112.84 179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -75.38 -48.63 22.09 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 119.427 1.012 . . . . 0.0 111.871 172.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 36.8 m -54.13 -36.52 63.36 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 119.449 1.022 . . . . 0.0 112.138 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . 0.252 13.4 mm -70.57 -3.16 3.06 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -59.29 -22.57 61.39 Favored 'General case' 0 CA--C 1.546 0.792 0 O-C-N 120.351 -1.468 . . . . 0.0 114.703 165.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.209 0 C-N-CA 125.345 1.45 . . . . 0.0 113.55 177.752 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 24.9 ptt? . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 111.514 0.19 . . . . 0.0 111.514 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 52.65 64.36 1.89 Allowed 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 126.263 1.825 . . . . 0.0 115.478 176.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -139.25 -41.12 0.46 Allowed 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 124.529 1.131 . . . . 0.0 113.541 176.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.436 ' HA ' ' HB2' ' B' ' 7' ' ' LEU . 3.4 pp -48.98 -26.77 2.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 127.33 2.252 . . . . 0.0 115.616 165.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.3 -47.34 50.68 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 121.649 2.022 . . . . 0.0 111.908 172.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -61.32 -40.6 94.8 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 119.036 0.835 . . . . 0.0 111.47 172.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' B' ' 4' ' ' LEU . 73.8 mt -58.06 -53.73 54.91 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 123.419 0.688 . . . . 0.0 112.353 172.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -51.67 -50.23 60.79 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.992 0.814 . . . . 0.0 112.345 174.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -68.86 6.93 0.76 Allowed 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 115.226 1.565 . . . . 0.0 115.226 174.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 65.5 mt -115.57 -43.56 3.03 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.21 1.404 . . . . 0.0 111.835 164.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.557 ' CD ' ' OH ' ' A' ' 18' ' ' TYR . 6.1 mm-40 -67.83 -48.74 65.35 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 125.159 1.384 . . . . 0.0 111.922 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -70.99 -30.51 66.78 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.301 -0.875 . . . . 0.0 112.719 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -64.03 -41.67 97.35 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.577 0.751 . . . . 0.0 111.944 171.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.75 84.57 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.504 0.722 . . . . 0.0 112.004 171.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 2.5 ttm -54.87 -46.11 74.67 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.844 0.858 . . . . 0.0 113.295 178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -54.24 -38.06 65.32 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.482 1.113 . . . . 0.0 112.914 175.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 74.6 mt -81.15 -37.45 28.77 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.854 1.262 . . . . 0.0 111.424 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.39 -34.73 71.06 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.78 -26.84 44.51 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 172.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -75.03 -52.85 10.04 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 119.003 0.82 . . . . 0.0 112.526 -170.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.67 -1.61 25.55 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.795 1.035 . . . . 0.0 113.795 174.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 8.0 t -57.49 -56.23 24.58 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -173.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -62.15 -32.04 72.6 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.406 0.683 . . . . 0.0 112.082 176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -74.55 -34.93 63.06 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.882 1.273 . . . . 0.0 113.005 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.406 HG22 ' HE1' ' A' ' 3' ' ' TYR . 95.2 t -80.63 -52.27 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 123.785 0.834 . . . . 0.0 111.78 173.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.87 47.63 65.46 Favored Glycine 0 CA--C 1.541 1.665 0 N-CA-C 115.464 0.945 . . . . 0.0 115.464 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -130.05 150.18 75.26 Favored Pre-proline 0 N--CA 1.479 1.015 0 CA-C-N 118.711 1.256 . . . . 0.0 112.587 177.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_endo -75.42 -34.52 3.43 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 122.825 2.35 . . . . 0.0 114.381 -170.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 4.6 p -68.07 -24.94 30.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 CA-C-N 119.9 1.227 . . . . 0.0 112.47 -178.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 53.8 tp -65.58 -45.26 83.95 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.808 1.243 . . . . 0.0 111.686 171.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.9 89.11 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.686 0.795 . . . . 0.0 112.61 172.632 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -64.12 -34.73 78.72 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.351 -0.843 . . . . 0.0 112.428 171.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.662 HG23 ' CE1' ' A' ' 40' ' ' HIS . 16.1 mt -67.72 -45.13 85.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 C-N-CA 123.432 0.693 . . . . 0.0 112.778 -177.294 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.84 -26.55 66.1 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-N 119.014 0.825 . . . . 0.0 112.916 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -69.9 -32.02 70.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.351 1.461 . . . . 0.0 113.323 172.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -71.19 -41.86 69.76 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.37 1.068 . . . . 0.0 112.788 174.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -62.24 -23.32 66.6 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 121.219 -0.925 . . . . 0.0 112.536 176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -59.9 -42.52 94.03 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.169 -0.957 . . . . 0.0 112.326 174.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.04 -46.67 77.0 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.71 0.404 . . . . 0.0 110.49 171.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.722 ' CD2' HG12 ' A' ' 33' ' ' ILE . 35.7 m170 -56.67 -44.19 81.15 Favored 'General case' 0 C--O 1.216 -0.66 0 CA-C-O 117.525 -1.226 . . . . 0.0 113.63 -177.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.449 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 1.2 tp -77.2 -32.08 18.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 127.733 2.413 . . . . 0.0 111.636 -173.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -67.73 -46.77 71.18 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.346 -0.846 . . . . 0.0 110.45 168.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 1.036 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 44.3 m0 -63.97 -29.64 70.79 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.678 0.791 . . . . 0.0 112.775 171.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.449 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 2.1 tt -57.88 -55.94 28.43 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.642 1.177 . . . . 0.0 112.443 178.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -67.58 -32.94 74.03 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 121.56 -0.713 . . . . 0.0 112.519 175.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 57.6 m -57.76 -28.97 64.43 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 170.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.597 HD11 ' HB3' ' A' ' 27' ' ' ASP . 1.0 OUTLIER -67.54 -6.41 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 17.6 m-80 -58.91 -24.56 62.5 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.218 1.407 . . . . 0.0 114.476 173.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.217 0 C-N-CA 125.56 1.552 . . . . 0.0 113.154 -179.691 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ttt . . . . . 0 N--CA 1.483 1.184 0 N-CA-C 110.365 -0.235 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 m-20 67.67 -179.95 0.22 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 126.522 1.929 . . . . 0.0 113.806 -172.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.658 ' CZ ' HG11 ' B' ' 25' ' ' VAL . 0.6 OUTLIER -111.29 -82.06 0.58 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.376 1.471 . . . . 0.0 110.508 -173.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -26.82 68.9 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.868 1.267 . . . . 0.0 113.107 -175.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 24.8 ttt85 -73.75 -42.94 60.41 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 120.631 -1.293 . . . . 0.0 111.748 176.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -59.32 -41.08 88.24 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 118.051 -0.976 . . . . 0.0 112.279 165.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.926 HD22 ' CE1' ' B' ' 18' ' ' TYR . 76.3 mt -56.68 -51.62 68.07 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 120.007 1.276 . . . . 0.0 111.686 173.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -51.6 -51.76 52.98 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.635 0.731 . . . . 0.0 112.33 174.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 29.6 mtpp -69.99 2.58 3.39 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.801 1.64 . . . . 0.0 115.303 178.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.6 ' CD1' HD12 ' B' ' 17' ' ' LEU . 75.8 mt -113.4 -40.78 3.79 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.196 1.798 . . . . 0.0 111.395 169.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.31 -44.18 72.24 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.27 1.028 . . . . 0.0 111.229 -177.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -69.69 -34.72 74.33 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.184 -0.948 . . . . 0.0 112.989 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -44.22 97.16 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.713 0.805 . . . . 0.0 111.554 173.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.92 -43.38 83.42 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 123.369 0.668 . . . . 0.0 111.592 173.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.0 ttm -53.32 -39.09 63.79 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.281 1.032 . . . . 0.0 113.48 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -62.94 -39.13 93.66 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 113.553 0.945 . . . . 0.0 113.553 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.469 HD12 HD12 ' B' ' 10' ' ' LEU . 64.0 mt -71.17 -41.16 70.72 Favored 'General case' 0 N--CA 1.461 0.076 0 C-N-CA 124.1 0.96 . . . . 0.0 110.796 172.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -67.41 -7.71 27.26 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.254 1.422 . . . . 0.0 114.412 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.9 ptt180 -105.84 -7.18 18.42 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 114.404 1.261 . . . . 0.0 114.404 167.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -119.14 -49.31 2.4 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-N 119.067 0.849 . . . . 0.0 112.416 -169.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.72 -34.39 71.29 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.235 1.014 . . . . 0.0 111.966 169.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 71.6 m -58.45 -39.86 81.01 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 127.119 2.168 . . . . 0.0 114.083 174.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -71.43 -30.77 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.635 -0.666 . . . . 0.0 112.522 172.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.861 ' HB3' ' HE2' ' B' ' 3' ' ' TYR . 0.0 OUTLIER -78.79 -29.14 44.78 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.581 1.153 . . . . 0.0 113.721 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.6 t -113.85 -35.26 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 C-N-CA 124.89 1.276 . . . . 0.0 112.59 -170.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.09 8.0 72.86 Favored Glycine 0 CA--C 1.539 1.588 0 N-CA-C 116.521 1.368 . . . . 0.0 116.521 173.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.657 ' CB ' HD11 ' B' ' 47' ' ' ILE . 0.3 OUTLIER -64.43 134.85 96.12 Favored Pre-proline 0 CA--C 1.55 0.948 0 CA-C-N 119.381 1.591 . . . . 0.0 112.29 179.726 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.29 -38.08 5.14 Favored 'Trans proline' 0 C--N 1.349 0.572 0 C-N-CA 122.173 1.915 . . . . 0.0 113.131 -175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.447 HG21 ' CG ' ' B' ' 43' ' ' TRP . 7.8 p -68.13 -30.31 47.52 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 119.399 1.0 . . . . 0.0 112.258 177.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 41.0 tp -68.08 -46.65 70.42 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.965 1.306 . . . . 0.0 110.931 176.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.94 -38.66 86.61 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 170.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -66.17 -41.27 90.56 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 124.922 1.289 . . . . 0.0 113.788 178.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.712 HG23 ' CE1' ' B' ' 40' ' ' HIS . 9.0 mt -58.85 -37.09 64.65 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 -171.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 pp -61.59 -21.64 64.5 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -171.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -63.77 -35.51 80.84 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.786 1.634 . . . . 0.0 112.787 173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -66.93 -45.04 79.11 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.676 -0.64 . . . . 0.0 110.777 173.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -62.79 -31.94 73.01 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 121.369 -0.832 . . . . 0.0 112.336 177.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.12 -45.18 95.75 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.371 1.068 . . . . 0.0 111.657 171.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.415 ' N ' ' HE2' ' A' ' 39' ' ' LYS . 0.5 OUTLIER -61.9 -47.83 83.21 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.756 0.822 . . . . 0.0 111.582 171.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.643 ' NE2' ' OD2' ' B' ' 36' ' ' ASP . 43.4 m170 -55.45 -44.15 76.11 Favored 'General case' 0 C--O 1.223 -0.312 0 C-N-CA 124.554 1.142 . . . . 0.0 113.545 -175.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 14.6 tt -85.1 -27.55 6.56 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 126.119 1.768 . . . . 0.0 111.974 -172.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -62.54 -46.85 86.51 Favored 'General case' 0 CA--C 1.539 0.549 0 O-C-N 121.508 -0.745 . . . . 0.0 110.46 164.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.5 m0 -63.99 -36.94 85.62 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 123.006 0.523 . . . . 0.0 112.253 170.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 1.7 tt -58.9 -50.56 73.57 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 118.984 0.811 . . . . 0.0 112.409 177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -55.28 -45.7 76.16 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.988 0.915 . . . . 0.0 112.232 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 90.1 m -60.91 -42.92 99.03 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.705 0.802 . . . . 0.0 112.251 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.888 HD11 ' CG1' ' B' ' 29' ' ' VAL . 14.7 mt -61.61 -31.31 50.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.19 1.396 . . . . 0.0 114.366 174.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 46.1 t-20 -84.08 -39.1 19.96 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.071 1.748 . . . . 0.0 113.255 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.25 0 C-N-CA 126.947 2.213 . . . . 0.0 114.523 -179.2 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 119.179 -0.439 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 65.18 -15.21 0.1 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 127.514 2.326 . . . . 0.0 116.693 175.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.861 ' HE2' ' HB3' ' A' ' 24' ' ' ARG . 1.8 m-30 -38.72 -56.96 1.26 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 127.114 2.166 . . . . 0.0 113.342 174.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -20.43 61.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 N-CA-C 114.711 1.374 . . . . 0.0 114.711 -173.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 28.5 mtp-105 -68.58 -42.23 78.57 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 118.932 0.787 . . . . 0.0 110.188 173.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -61.55 -34.47 75.62 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 118.877 0.762 . . . . 0.0 112.569 172.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 77.4 mt -65.79 -52.84 47.44 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 119.804 1.184 . . . . 0.0 111.902 170.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.79 -49.61 65.25 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.881 0.764 . . . . 0.0 112.846 176.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -71.21 6.38 1.71 Allowed 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.775 1.63 . . . . 0.0 114.99 177.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.469 HD12 HD12 ' A' ' 17' ' ' LEU . 87.4 mt -116.0 -40.62 3.28 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.588 1.155 . . . . 0.0 112.271 163.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.08 -46.46 42.82 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.919 0.888 . . . . 0.0 112.636 -174.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -73.47 -29.48 62.55 Favored 'General case' 0 CA--C 1.541 0.631 0 O-C-N 121.002 -1.061 . . . . 0.0 112.028 172.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.57 -41.95 86.86 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.402 -0.811 . . . . 0.0 111.816 170.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.5 76.76 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 170.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -53.7 -38.84 64.65 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 120.834 -1.167 . . . . 0.0 113.754 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 mttt -56.96 -38.68 73.31 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 172.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.6 HD12 ' CD1' ' A' ' 10' ' ' LEU . 60.8 mt -78.29 -41.92 32.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 123.933 0.893 . . . . 0.0 110.569 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . 0.926 ' CE1' HD22 ' A' ' 7' ' ' LEU . 21.4 m-85 -62.8 -30.32 71.38 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 124.501 1.121 . . . . 0.0 113.119 177.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.5 ptp180 -83.92 -27.77 28.33 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 174.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -88.26 -61.41 1.72 Allowed 'General case' 0 N--CA 1.476 0.845 0 CA-C-O 121.974 0.892 . . . . 0.0 111.705 -174.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.2 62.11 2.21 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.622 1.969 . . . . 0.0 111.297 175.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 5.3 t -133.63 -46.29 0.81 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 125.597 1.559 . . . . 0.0 111.175 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -59.9 -38.09 81.29 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.02 0.928 . . . . 0.0 113.006 178.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 37.3 mtm180 -82.67 -36.31 26.06 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 174.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.658 HG11 ' CZ ' ' A' ' 3' ' ' TYR . 55.5 t -75.85 -45.09 38.36 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 123.929 0.892 . . . . 0.0 112.341 -173.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.43 -5.74 14.27 Favored Glycine 0 CA--C 1.541 1.699 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 168.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -66.25 138.98 96.18 Favored Pre-proline 0 CA--C 1.551 0.992 0 CA-C-N 120.111 1.956 . . . . 0.0 113.063 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -73.8 -29.92 9.95 Favored 'Trans proline' 0 CA--C 1.538 0.723 0 C-N-CA 123.196 2.597 . . . . 0.0 113.893 -175.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.888 ' CG1' HD11 ' A' ' 47' ' ' ILE . 8.6 p -69.26 -23.31 26.59 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 O-C-N 121.129 -0.982 . . . . 0.0 112.964 178.192 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tt -56.41 -39.21 72.65 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.962 1.305 . . . . 0.0 111.743 171.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -63.45 -38.83 92.64 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.797 -0.564 . . . . 0.0 112.465 173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -65.56 -42.09 92.21 Favored 'General case' 0 N--CA 1.48 1.029 0 O-C-N 121.345 -0.847 . . . . 0.0 112.13 176.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 78.3 mt -56.87 -57.06 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.418 1.087 . . . . 0.0 110.797 171.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 pp -66.41 -28.29 68.51 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.65 -37.42 86.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.869 1.267 . . . . 0.0 112.474 173.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . 0.643 ' OD2' ' NE2' ' A' ' 40' ' ' HIS . 89.8 m-20 -69.96 -44.48 69.41 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.553 -0.717 . . . . 0.0 111.667 174.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.11 -20.71 66.16 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.49 -52.85 34.29 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.766 1.166 . . . . 0.0 111.914 168.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.1 mpmm? -56.23 -40.59 74.34 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 121.341 -0.85 . . . . 0.0 111.471 175.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.712 ' CE1' HG23 ' A' ' 33' ' ' ILE . 30.1 m170 -59.76 -20.78 58.76 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.199 1.555 . . . . 0.0 115.199 178.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' B' ' 44' ' ' LEU . 0.9 OUTLIER -98.82 -32.16 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 C-N-CA 125.343 1.457 . . . . 0.0 110.676 -176.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -65.99 -45.87 80.06 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.62 -0.675 . . . . 0.0 110.574 168.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . 0.614 ' HE3' HD11 ' A' ' 33' ' ' ILE . 37.6 m0 -62.24 -31.82 72.42 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.628 0.771 . . . . 0.0 112.447 170.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' B' ' 41' ' ' ILE . 1.1 tt -61.19 -55.57 30.68 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.942 0.897 . . . . 0.0 112.475 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -60.15 -42.57 95.18 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.755 0.822 . . . . 0.0 111.121 177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 70.9 m -58.63 -29.92 66.88 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.546 1.138 . . . . 0.0 113.081 176.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.657 HD11 ' CB ' ' A' ' 27' ' ' ASP . 1.2 tp -64.25 -11.82 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -140.3 6.92 2.15 Favored 'General case' 0 CA--C 1.548 0.893 0 C-N-CA 126.064 1.746 . . . . 0.0 113.934 -175.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.257 0 C-N-CA 125.61 1.576 . . . . 0.0 113.216 -178.702 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 121.081 0.467 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -78.45 47.64 0.72 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 126.052 1.741 . . . . 0.0 113.143 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 1.314 ' OH ' ' HB2' ' B' ' 24' ' ' ARG . 0.0 OUTLIER -142.49 -50.01 0.36 Allowed 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.341 1.456 . . . . 0.0 111.377 -179.634 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.61 -21.26 14.74 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 114.87 1.433 . . . . 0.0 114.87 -176.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.2 mtp-105 -61.12 -37.84 84.21 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 120.344 1.429 . . . . 0.0 112.118 172.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -62.29 -27.15 68.82 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.55 1.54 . . . . 0.0 113.615 172.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.8 mt -81.12 -45.97 15.64 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.689 0.796 . . . . 0.0 111.047 174.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -53.71 -50.11 66.61 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.72 1.208 . . . . 0.0 112.191 176.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.6 pttp -76.68 11.25 1.75 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 174.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.996 HD13 ' HB2' ' B' ' 14' ' ' ALA . 0.0 OUTLIER -103.23 -47.07 4.43 Favored 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 126.445 1.898 . . . . 0.0 108.999 161.478 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -76.73 -40.28 49.09 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 118.623 0.647 . . . . 0.0 110.65 -165.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.15 -39.25 86.52 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 124.065 0.946 . . . . 0.0 112.198 168.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -65.97 -45.04 83.14 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.194 0.998 . . . . 0.0 113.0 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.44 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.514 0.726 . . . . 0.0 110.971 173.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 24.9 tpp -55.41 -47.74 75.44 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.352 1.061 . . . . 0.0 113.14 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.92 -37.35 14.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.815 1.246 . . . . 0.0 113.634 173.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -91.19 -48.29 7.03 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.333 1.053 . . . . 0.0 111.167 -174.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 1.035 ' CE1' HD22 ' B' ' 7' ' ' LEU . 10.0 m-85 -56.69 -42.45 79.12 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 124.325 1.05 . . . . 0.0 111.222 177.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.61 -35.91 81.34 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.716 -0.615 . . . . 0.0 111.537 178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 1.174 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 4.7 tp10 -69.69 -47.85 61.72 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 118.194 0.452 . . . . 0.0 110.38 176.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 1.557 ' HB2' ' CE2' ' B' ' 3' ' ' TYR . . . -59.52 -36.91 77.03 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.667 0.787 . . . . 0.0 112.386 175.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -59.12 -47.8 83.94 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 120.752 -1.217 . . . . 0.0 111.58 170.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -71.05 -1.41 12.1 Favored 'General case' 0 CA--C 1.551 1.015 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -21.43 7.67 Favored 'General case' 0 N--CA 1.483 1.181 0 C-N-CA 126.052 1.741 . . . . 0.0 113.92 177.665 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 t -132.14 -31.03 0.58 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 125.022 1.329 . . . . 0.0 112.868 -170.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.6 16.7 77.72 Favored Glycine 0 CA--C 1.539 1.559 0 N-CA-C 116.745 1.458 . . . . 0.0 116.745 170.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.19 131.44 93.55 Favored Pre-proline 0 CA--C 1.552 1.032 0 CA-C-N 119.408 1.604 . . . . 0.0 112.517 179.326 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -70.09 -31.78 18.41 Favored 'Trans proline' 0 CA--C 1.537 0.635 0 C-N-CA 122.591 2.194 . . . . 0.0 113.121 -176.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.8 p -67.74 -30.13 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 121.318 -0.864 . . . . 0.0 112.087 172.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -44.52 80.99 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.349 -0.844 . . . . 0.0 110.794 171.253 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.58 80.77 Favored 'General case' 0 CA--C 1.547 0.854 0 O-C-N 121.271 -0.893 . . . . 0.0 112.89 171.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.7 tptt -62.37 -40.09 95.31 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.216 1.006 . . . . 0.0 112.524 172.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 27.1 mt -58.93 -40.77 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 124.381 1.072 . . . . 0.0 111.97 173.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -60.99 -40.63 94.22 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 119.113 0.869 . . . . 0.0 113.331 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.07 -36.56 79.96 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.19 1.396 . . . . 0.0 112.257 -178.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -68.69 -53.13 24.08 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.725 0.81 . . . . 0.0 112.361 176.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -65.75 -27.5 68.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 119.098 0.863 . . . . 0.0 112.733 -174.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -63.26 -51.15 67.34 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.671 1.188 . . . . 0.0 112.124 174.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.489 ' HA ' ' HE3' ' A' ' 39' ' ' LYS . 0.4 OUTLIER -67.76 -41.05 83.91 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 126.441 1.896 . . . . 0.0 113.578 173.17 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -58.1 -35.08 70.92 Favored 'General case' 0 C--O 1.218 -0.572 0 C-N-CA 124.557 1.143 . . . . 0.0 114.08 -176.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.419 ' HA ' ' HB2' ' A' ' 44' ' ' LEU . 7.2 tt -82.46 -21.62 9.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 127.045 2.138 . . . . 0.0 111.442 -173.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -70.98 -49.54 44.25 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 121.514 -0.741 . . . . 0.0 109.828 163.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 50.4 m0 -58.29 -33.22 69.22 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 171.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HB2' ' HA ' ' A' ' 41' ' ' ILE . 3.8 tt -56.6 -55.77 29.79 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 124.603 1.161 . . . . 0.0 113.096 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -63.57 -40.13 96.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.886 178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 89.4 m -56.74 -22.43 35.44 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 124.604 1.161 . . . . 0.0 113.596 173.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.608 HD13 HG13 ' B' ' 29' ' ' VAL . 1.1 tp -68.32 -4.17 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 173.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.03 -11.18 0.98 Allowed 'General case' 0 CA--C 1.551 0.996 0 N-CA-C 115.298 1.592 . . . . 0.0 115.298 173.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.824 0 C-N-CA 126.039 1.781 . . . . 0.0 114.519 174.232 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.441 ' HG2' ' H ' ' B' ' 2' ' ' ASP 0.254 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 118.876 -0.583 . . . . 0.0 111.565 . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.441 ' H ' ' HG2' ' B' ' 1' ' ' MET . 3.4 m-20 -140.46 91.45 2.44 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 125.133 1.373 . . . . 0.0 110.069 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 1.557 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 12.6 t80 -148.25 -56.13 0.22 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.316 1.046 . . . . 0.0 111.314 179.558 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.44 ' HA ' HD12 ' B' ' 7' ' ' LEU . 2.8 pp -60.97 -22.65 64.68 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 126.065 1.746 . . . . 0.0 114.305 172.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.4 ttm105 -64.55 -41.97 95.98 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 120.791 -1.193 . . . . 0.0 112.335 176.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.47 -35.58 80.64 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 119.004 0.82 . . . . 0.0 112.012 172.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 1.035 HD22 ' CE1' ' A' ' 18' ' ' TYR . 73.7 mt -61.64 -51.2 69.44 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.342 0.657 . . . . 0.0 111.749 171.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -52.51 -52.49 54.3 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.078 0.854 . . . . 0.0 112.957 172.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -68.08 4.43 1.23 Allowed 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.111 1.522 . . . . 0.0 115.111 175.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 72.1 mt -107.71 -54.43 2.49 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.102 1.361 . . . . 0.0 111.483 161.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.679 ' HG3' ' OH ' ' A' ' 18' ' ' TYR . 4.4 mm-40 -66.92 -34.45 77.8 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.534 1.133 . . . . 0.0 112.233 -170.16 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -81.35 -34.72 31.61 Favored 'General case' 0 N--CA 1.467 0.399 0 O-C-N 120.958 -1.089 . . . . 0.0 113.463 174.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -55.08 -45.25 75.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 123.714 0.806 . . . . 0.0 110.313 167.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . 0.996 ' HB2' HD13 ' A' ' 10' ' ' LEU . . . -61.99 -48.49 80.12 Favored 'General case' 0 C--O 1.223 -0.326 0 C-N-CA 124.234 1.014 . . . . 0.0 112.766 170.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 40.1 tpp -55.09 -41.03 71.08 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.886 1.221 . . . . 0.0 113.303 -178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -62.94 -34.11 76.78 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 113.628 0.973 . . . . 0.0 113.628 175.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 77.2 mt -81.61 -31.11 32.64 Favored 'General case' 0 CA--C 1.519 -0.247 0 C-N-CA 125.188 1.395 . . . . 0.0 112.216 176.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -65.95 -40.22 91.12 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-O 117.432 -1.27 . . . . 0.0 111.098 176.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 39.5 ptt180 -68.04 -22.62 64.94 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 120.905 1.684 . . . . 0.0 114.676 166.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -79.12 -63.82 1.33 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.441 1.096 . . . . 0.0 113.138 -177.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.9 -23.08 67.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 123.878 0.871 . . . . 0.0 113.285 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 3.2 t -52.93 -42.72 65.68 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.927 0.891 . . . . 0.0 112.737 170.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -67.19 -8.09 28.69 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.419 1.487 . . . . 0.0 114.451 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . 1.314 ' HB2' ' OH ' ' A' ' 3' ' ' TYR . 2.2 mmm180 -125.35 -18.14 5.42 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.835 1.654 . . . . 0.0 114.255 -177.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 1.097 HG23 ' CE2' ' A' ' 3' ' ' TYR . 67.2 t -110.22 -39.88 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 C-N-CA 125.169 1.388 . . . . 0.0 112.071 179.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.14 2.46 18.78 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 117.628 1.811 . . . . 0.0 117.628 171.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . 0.451 ' HB3' HD11 ' A' ' 47' ' ' ILE . 5.2 m-20 -66.4 143.69 98.36 Favored Pre-proline 0 CA--C 1.547 0.852 0 CA-C-N 119.886 1.843 . . . . 0.0 112.86 -179.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.08 -34.03 10.88 Favored 'Trans proline' 0 C--N 1.349 0.603 0 C-N-CA 122.578 2.185 . . . . 0.0 113.274 -176.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . 0.608 HG13 HD13 ' A' ' 47' ' ' ILE . 9.1 p -71.69 -26.26 25.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 O-C-N 121.181 -0.949 . . . . 0.0 112.844 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -66.75 -46.8 74.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.687 1.195 . . . . 0.0 110.542 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.17 -34.83 77.15 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.569 0.748 . . . . 0.0 112.945 171.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -68.68 -28.4 66.83 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 121.075 -1.016 . . . . 0.0 113.499 175.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 61.6 mt -67.3 -55.74 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.459 173.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 pp -60.4 -14.37 18.54 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 121.138 1.79 . . . . 0.0 114.986 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -75.89 -40.7 53.93 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.197 1.399 . . . . 0.0 113.603 167.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -76.96 -46.21 24.89 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.353 1.461 . . . . 0.0 112.01 173.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -67.02 -6.11 15.71 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 128.857 2.863 . . . . 0.0 112.347 -179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -66.27 -54.08 29.19 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.488 1.515 . . . . 0.0 111.673 164.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -61.22 -29.96 70.14 Favored 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.841 0.856 . . . . 0.0 111.783 -177.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -60.16 -2.36 0.43 Allowed 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 127.841 2.456 . . . . 0.0 116.299 173.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.7 tp -116.52 -30.54 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-N 120.268 1.395 . . . . 0.0 112.045 173.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -73.74 -45.54 51.35 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.182 -0.949 . . . . 0.0 110.929 174.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 49.8 m0 -64.95 -27.77 69.06 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.772 0.829 . . . . 0.0 112.334 171.013 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.86 -56.05 20.74 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.05 1.34 . . . . 0.0 111.902 172.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -57.56 -34.7 69.46 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.402 1.081 . . . . 0.0 112.068 172.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 56.8 m -65.42 -30.46 71.27 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 173.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 tp -70.98 -4.78 4.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 N-CA-C 114.722 1.379 . . . . 0.0 114.722 -176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.36 -17.1 41.2 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.13 1.772 . . . . 0.0 115.306 174.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.143 0 C-N-CA 125.265 1.412 . . . . 0.0 113.291 178.493 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.788 ' SD ' HG22 ' B' ' 25' ' ' VAL . 21.8 ttm . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.498 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -145.28 -42.79 0.22 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 116.306 1.965 . . . . 0.0 116.306 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -53.04 -41.84 65.17 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 120.504 1.502 . . . . 0.0 112.795 -176.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.42 -23.97 2.76 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 127.431 2.292 . . . . 0.0 114.431 177.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttp180 -84.2 -36.24 22.93 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 120.895 -1.128 . . . . 0.0 111.8 -166.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -64.78 -37.87 89.06 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.309 0.644 . . . . 0.0 111.532 160.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.74 -51.8 66.86 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.367 0.985 . . . . 0.0 111.542 177.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -46.79 -55.43 7.91 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.46 1.504 . . . . 0.0 113.375 166.424 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -67.84 -1.42 5.48 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 115.453 1.649 . . . . 0.0 115.453 179.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -108.22 -40.6 5.13 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.624 1.57 . . . . 0.0 111.796 169.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -73.29 -42.49 62.35 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.426 1.09 . . . . 0.0 112.087 -175.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -67.92 -36.34 80.0 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 121.372 -0.83 . . . . 0.0 111.874 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -44.31 97.28 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 121.71 -0.619 . . . . 0.0 111.964 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.27 -42.61 96.37 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.514 0.726 . . . . 0.0 112.189 171.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.8 ttm -57.4 -45.19 84.79 Favored 'General case' 0 N--CA 1.472 0.627 0 O-C-N 121.258 -0.901 . . . . 0.0 113.216 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -51.49 -43.48 62.22 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.697 0.799 . . . . 0.0 112.398 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.3 mt -76.93 -40.25 47.83 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.579 1.151 . . . . 0.0 112.086 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -61.76 -43.47 98.78 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 118.648 -0.692 . . . . 0.0 111.072 176.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 ptt85 -67.25 -31.07 71.17 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 119.813 1.188 . . . . 0.0 113.642 174.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HB3' ' OH ' ' B' ' 3' ' ' TYR . 1.2 tp10 -70.11 -48.29 58.23 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 119.131 0.878 . . . . 0.0 111.284 -179.122 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.677 ' HB2' ' CE2' ' B' ' 3' ' ' TYR . . . -68.04 -26.14 65.72 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 112.799 0.666 . . . . 0.0 112.799 173.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 t -63.77 -44.94 91.92 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 121.079 -1.013 . . . . 0.0 112.271 167.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -63.59 -38.45 91.15 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.616 -0.678 . . . . 0.0 112.023 172.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -66.81 -40.18 87.97 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.456 1.102 . . . . 0.0 113.592 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 25.3 t -140.74 -55.82 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.084 0 C-N-CA 124.514 1.125 . . . . 0.0 111.929 -178.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 124.58 -67.04 0.52 Allowed Glycine 0 N--CA 1.468 0.824 0 C-N-CA 125.199 1.381 . . . . 0.0 111.8 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 47.44 131.37 0.0 OUTLIER Pre-proline 0 CA--C 1.557 1.227 0 C-N-CA 129.598 3.159 . . . . 0.0 116.436 -168.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -70.43 -40.31 4.39 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.717 1.611 . . . . 0.0 114.681 -163.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.3 p -77.91 -25.2 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.819 0 O-C-N 121.676 -0.64 . . . . 0.0 112.143 174.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 tt -65.68 -44.08 87.32 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.679 1.192 . . . . 0.0 111.219 173.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.63 65.46 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 172.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -79.81 -31.54 40.69 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.942 1.297 . . . . 0.0 113.139 174.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG12 ' CD2' ' B' ' 40' ' ' HIS . 49.0 mt -63.29 -37.1 78.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 O-C-N 121.391 -0.818 . . . . 0.0 111.693 174.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 91.6 mt -54.82 -42.1 71.45 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 119.273 0.942 . . . . 0.0 112.548 171.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -65.82 -40.29 91.69 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.134 1.374 . . . . 0.0 112.309 177.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -66.95 -47.11 72.64 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.577 0.751 . . . . 0.0 112.68 174.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.639 ' OE2' 'ZN ' ' B' ' 150' ' ' ' ZN' . 40.5 mm-40 -67.11 -18.69 65.43 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 121.282 -0.886 . . . . 0.0 112.747 176.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.53 -49.9 73.5 Favored 'General case' 0 N--CA 1.475 0.8 0 CA-C-N 120.553 1.524 . . . . 0.0 111.696 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -57.59 -38.21 74.51 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.592 0.757 . . . . 0.0 111.396 176.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.636 ' CE1' HG23 ' B' ' 33' ' ' ILE . 28.6 m170 -63.23 -21.0 65.95 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 48.0 mm -90.9 -40.49 12.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 125.758 1.623 . . . . 0.0 110.047 178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -59.45 -45.83 90.48 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.614 0.766 . . . . 0.0 111.015 170.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.472 ' HE3' HD11 ' B' ' 33' ' ' ILE . 43.4 m0 -62.69 -34.46 77.18 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 123.455 0.702 . . . . 0.0 112.415 170.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.37 -49.93 71.93 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 120.235 1.379 . . . . 0.0 114.494 -176.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -57.77 -40.14 79.07 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.448 1.099 . . . . 0.0 111.536 173.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.9 m -63.58 -1.98 1.47 Allowed 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 127.032 2.133 . . . . 0.0 114.406 177.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.6 mm -106.91 -4.94 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 125.604 1.561 . . . . 0.0 112.6 -175.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 44.4 m-80 -61.44 -22.89 65.43 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 124.569 1.147 . . . . 0.0 114.063 173.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.154 0 C-N-CA 126.474 1.988 . . . . 0.0 112.835 173.336 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.485 1.312 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -144.62 147.49 33.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.927 1.291 . . . . 0.0 110.286 -169.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.677 ' CE2' ' HB2' ' A' ' 21' ' ' ALA . 55.6 t80 -148.4 -62.04 0.25 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.627 0.771 . . . . 0.0 111.531 170.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.457 ' H ' HD12 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -60.22 -21.66 62.07 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 126.385 1.874 . . . . 0.0 113.597 -175.266 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 72.7 ttt180 -59.18 -39.17 81.7 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 126.902 2.081 . . . . 0.0 113.315 175.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -67.64 -41.01 84.54 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 118.788 0.722 . . . . 0.0 111.348 172.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -63.09 -41.18 99.34 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 118.765 0.712 . . . . 0.0 112.415 175.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -56.01 -54.15 48.35 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.457 0.703 . . . . 0.0 111.103 171.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -72.72 15.25 0.2 Allowed 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 126.315 1.846 . . . . 0.0 114.75 174.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -119.94 -40.99 2.68 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.379 1.871 . . . . 0.0 110.812 165.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.472 ' OE1' ' OE2' ' A' ' 37' ' ' GLU . 4.0 mm-40 -76.43 -43.82 38.54 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.383 1.073 . . . . 0.0 111.799 -178.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -71.22 -33.97 70.39 Favored 'General case' 0 CA--C 1.536 0.418 0 O-C-N 121.196 -0.94 . . . . 0.0 112.348 172.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -60.36 -46.56 89.52 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 123.452 0.701 . . . . 0.0 111.38 170.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.32 93.68 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.438 0.695 . . . . 0.0 112.203 172.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' MET . . . . . . . . . . . . . 1.5 ttm -51.86 -45.8 64.21 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 120.147 1.34 . . . . 0.0 112.757 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 32.1 tttt -56.24 -28.71 59.42 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.423 1.489 . . . . 0.0 113.55 177.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 75.1 mt -100.27 -33.35 10.45 Favored 'General case' 0 CA--C 1.522 -0.133 0 C-N-CA 126.45 1.9 . . . . 0.0 112.1 -176.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -60.02 -43.65 95.11 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.088 0.955 . . . . 0.0 110.247 178.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -62.98 -40.67 98.45 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 172.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -67.86 -46.76 70.8 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.278 1.031 . . . . 0.0 111.778 -178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.63 -45.98 84.73 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.716 1.206 . . . . 0.0 111.383 171.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 2.8 t -56.2 -43.32 78.39 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 121.168 -0.957 . . . . 0.0 112.347 174.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -65.35 2.91 0.75 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.415 1.886 . . . . 0.0 114.993 175.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -131.79 -39.61 1.1 Allowed 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.66 -1.275 . . . . 0.0 113.387 172.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . 0.788 HG22 ' SD ' ' A' ' 1' ' ' MET . 61.0 t -79.53 -36.77 17.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 125.0 1.32 . . . . 0.0 111.898 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.67 4.23 57.2 Favored Glycine 0 CA--C 1.54 1.603 0 N-CA-C 116.639 1.416 . . . . 0.0 116.639 174.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.15 134.85 96.02 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-N 119.38 1.59 . . . . 0.0 112.04 178.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.61 -36.98 17.8 Favored 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 122.406 2.071 . . . . 0.0 112.454 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' VAL . . . . . . . . . . . . . 8.7 p -61.95 -30.63 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 O-C-N 121.371 -0.831 . . . . 0.0 112.507 175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.15 -39.31 86.53 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.279 1.031 . . . . 0.0 111.323 176.136 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -68.29 -36.77 79.85 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 169.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.4 mmtt -64.15 -33.68 76.34 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.168 -0.958 . . . . 0.0 113.358 177.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.636 HG23 ' CE1' ' A' ' 40' ' ' HIS . 57.4 mt -57.35 -32.52 41.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 CA-C-N 118.378 0.535 . . . . 0.0 111.832 175.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 49.7 mt -58.63 -34.75 71.52 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.821 -1.174 . . . . 0.0 114.064 176.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.98 -44.17 85.69 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 119.419 1.008 . . . . 0.0 111.989 175.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -65.13 -51.8 59.09 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.732 -0.605 . . . . 0.0 111.159 176.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . 0.603 ' OE2' 'ZN ' ' A' ' 50' ' ' ' ZN' . 30.5 mm-40 -67.83 -17.9 64.66 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -175.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -69.77 -54.87 11.64 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.258 1.023 . . . . 0.0 111.569 169.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -58.6 -37.47 75.91 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 121.821 -0.549 . . . . 0.0 111.487 176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.515 ' CD2' HG12 ' A' ' 33' ' ' ILE . 23.5 m170 -62.32 -3.62 1.44 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 174.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 1.3 tp -114.28 -34.05 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 CA-C-N 120.874 1.67 . . . . 0.0 110.947 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -65.48 -51.21 61.71 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 118.496 0.589 . . . . 0.0 110.689 165.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -66.75 -34.79 78.62 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 58.7 tp -67.37 -34.12 76.63 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.964 1.306 . . . . 0.0 113.183 175.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -83.22 -37.17 23.95 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.381 0.992 . . . . 0.0 112.385 174.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' THR . . . . . . . . . . . . . 99.4 m -57.63 -36.3 71.64 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.14 0.976 . . . . 0.0 112.363 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 2.8 tp -73.53 -4.21 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -61.71 -28.09 69.17 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.754 1.622 . . . . 0.0 113.912 176.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.272 0 C-N-CA 126.1 1.809 . . . . 0.0 113.131 -175.399 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . 0.603 'ZN ' ' OE2' ' B' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 150' ' ' ' ZN' . . . . . 0.639 'ZN ' ' OE2' ' A' ' 37' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_