data_1pgy_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 1pgy _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 ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -54.27 -51.43 64.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.931 0.493 . . . . 0.0 109.95 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.23 -41.98 94.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.871 1.268 . . . . 0.0 113.974 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.3 ttm -63.08 -47.19 83.95 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.25 1.02 . . . . 0.0 113.005 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.53 -31.93 73.35 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.969 1.307 . . . . 0.0 111.585 176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.41 -41.25 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.411 1.084 . . . . 0.0 111.648 171.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.98 73.84 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.12 -1.612 . . . . 0.0 112.035 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -57.51 -37.7 73.43 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.041 0.936 . . . . 0.0 112.435 169.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.58 -46.78 86.22 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -34.41 73.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 m -64.87 -37.13 86.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.06 -29.14 43.31 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.97 95.81 2.14 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -144.33 179.9 6.95 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.735 1.214 . . . . 0.0 111.75 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -65.74 -162.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.741 1.617 . . . . 0.0 112.896 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mt -105.9 -98.94 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 120.264 -1.522 . . . . 0.0 108.588 171.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.13 -43.86 95.37 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.74 -43.0 94.41 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 170.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.79 65.74 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.167 -0.92 . . . . 0.0 111.861 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -59.41 -54.98 40.41 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.009 1.277 . . . . 0.0 112.229 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -46.43 69.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.367 -0.833 . . . . 0.0 112.639 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -56.82 -51.27 69.65 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.18 0.992 . . . . 0.0 112.822 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -55.69 6.78 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 111.516 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -33.14 74.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.138 1.375 . . . . 0.0 114.369 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -78.07 -24.95 47.47 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.73 -32.14 20.59 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.881 1.273 . . . . 0.0 112.318 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' A' ' 33' ' ' THR . 12.9 p 157.3 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 130.552 3.541 . . . . 0.0 117.901 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.404 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 25.4 p -128.35 -42.02 1.52 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 129.338 3.055 . . . . 0.0 113.651 -169.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 43.8 t80 178.0 -81.87 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.402 2.281 . . . . 0.0 111.377 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.88 -35.05 72.36 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -40.54 94.45 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.55 0.74 . . . . 0.0 112.983 174.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -73.14 -38.84 66.13 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 120.051 1.296 . . . . 0.0 109.807 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 tt -51.72 -48.4 63.62 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.826 0.85 . . . . 0.0 110.148 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.43 -42.8 96.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.265 1.026 . . . . 0.0 112.757 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.57 -43.57 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.383 1.073 . . . . 0.0 112.374 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.46 -39.1 91.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.748 1.619 . . . . 0.0 111.912 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -53.51 55.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.606 0.639 . . . . 0.0 111.194 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -49.96 70.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.691 1.132 . . . . 0.0 112.76 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ttm -57.33 -39.15 75.29 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -35.93 61.27 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.81 0.844 . . . . 0.0 112.039 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.2 mt -69.13 -42.81 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 119.962 -1.711 . . . . 0.0 110.992 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.61 -33.59 55.51 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.049 -1.032 . . . . 0.0 112.588 169.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.26 -36.59 80.44 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.117 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.48 -47.5 81.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.344 0.975 . . . . 0.0 112.788 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -46.41 66.8 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.208 1.822 . . . . 0.0 113.906 172.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -54.55 -32.83 59.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.2 mt -86.95 -22.08 25.83 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 58.25 0.73 Allowed Glycine 0 CA--C 1.537 1.416 0 CA-C-N 121.53 1.968 . . . . 0.0 114.236 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mt -127.25 175.11 8.41 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.981 1.712 . . . . 0.0 112.358 -175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -60.46 -157.91 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 127.568 2.347 . . . . 0.0 114.81 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 mt -115.19 -94.18 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 120.172 -1.58 . . . . 0.0 109.133 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.89 -30.61 69.14 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.662 1.185 . . . . 0.0 112.635 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.89 -50.54 48.73 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.931 171.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.46 -50.73 59.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.999 1.272 . . . . 0.0 113.346 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -53.56 -40.4 65.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.399 0.999 . . . . 0.0 113.497 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.83 -28.05 58.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 173.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.29 -58.57 3.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 119.043 0.838 . . . . 0.0 109.388 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -59.61 0.99 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.754 1.622 . . . . 0.0 113.068 169.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -29.36 69.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.38 -36.71 24.12 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -73.92 0.09 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 126.354 1.862 . . . . 0.0 107.953 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.3 p -164.33 -78.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 117.195 2.294 . . . . 0.0 117.195 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.0 p -161.0 -58.26 0.05 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.475 2.71 . . . . 0.0 109.382 -168.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.443 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 6.7 t80 -179.72 -63.85 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 O-C-N 118.876 -2.39 . . . . 0.0 109.477 169.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.14 -32.09 72.64 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 113.221 -1.809 . . . . 0.0 111.765 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -44.63 65.06 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.166 170.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -69.17 -43.78 73.53 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 123.105 2.684 . . . . 0.0 110.518 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tt -46.2 -44.94 16.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.201 0.909 . . . . 0.0 111.618 169.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.37 -46.48 90.01 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 171.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.12 -50.94 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 O-C-N 120.851 -1.156 . . . . 0.0 111.993 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.96 -56.02 26.07 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 128.334 2.654 . . . . 0.0 111.904 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.5 tttt . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 173.17 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.521 -0.276 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -45.61 93.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.957 0.903 . . . . 0.0 111.45 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -42.82 90.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 112.952 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.0 mtt -63.1 -44.64 95.12 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 171.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.15 -31.33 68.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.094 -1.004 . . . . 0.0 112.616 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -63.38 -44.79 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.564 1.075 . . . . 0.0 111.419 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.34 73.13 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.288 -0.882 . . . . 0.0 112.698 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -40.25 80.16 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.057 -1.027 . . . . 0.0 113.616 171.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.24 -39.82 88.05 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 112.061 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.314 1.046 . . . . 0.0 113.396 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -58.5 3.69 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 118.617 0.644 . . . . 0.0 110.758 169.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.52 -32.67 65.3 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.06 83.76 1.73 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.14 1.352 . . . . 0.0 114.093 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -120.46 -158.28 0.74 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.943 1.297 . . . . 0.0 111.509 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 m -89.38 -147.28 0.17 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 124.125 0.97 . . . . 0.0 110.643 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 mt -113.38 -95.27 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 124.975 1.31 . . . . 0.0 110.313 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -46.46 88.34 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.34 1.056 . . . . 0.0 110.668 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.06 -37.9 72.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 168.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.83 80.01 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 121.761 2.073 . . . . 0.0 111.572 173.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -55.85 -47.46 77.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.779 0.718 . . . . 0.0 112.875 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.01 -23.9 63.21 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.95 -1.094 . . . . 0.0 113.666 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -74.28 -52.12 13.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 118.657 0.662 . . . . 0.0 109.673 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.95 -47.49 5.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.843 2.057 . . . . 0.0 115.173 171.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.07 -39.75 60.64 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -74.75 -2.88 28.45 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.7 -69.0 0.77 Allowed 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.558 ' CG2' ' H ' ' A' ' 33' ' ' THR . 5.8 p 178.6 -122.26 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-N 120.237 1.38 . . . . 0.0 107.614 -176.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.558 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 28.1 m -102.75 -74.08 0.64 Allowed 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 127.697 2.399 . . . . 0.0 114.571 168.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -163.47 -51.77 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.691 1 CA-C-N 126.084 4.038 . . . . 0.0 107.928 -169.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.74 -36.4 28.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 125.654 1.582 . . . . 0.0 113.821 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -52.03 66.93 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.826 0.45 . . . . 0.0 111.082 171.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -41.58 89.6 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.055 -1.028 . . . . 0.0 110.796 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 tt -47.42 -45.31 25.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.663 0.602 . . . . 0.0 110.998 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -68.39 -44.57 74.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.651 1.18 . . . . 0.0 113.974 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.62 -49.82 71.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.064 0.945 . . . . 0.0 111.417 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.1 -38.64 87.02 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.422 1.889 . . . . 0.0 111.74 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mttp . . . . . 0 N--CA 1.478 0.95 0 CA-C-N 118.93 0.786 . . . . 0.0 112.436 170.576 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -57.76 -46.67 84.19 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.308 0.504 . . . . 0.0 111.072 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.15 -39.57 93.16 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.815 1.246 . . . . 0.0 113.768 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.54 -52.91 40.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.613 -0.679 . . . . 0.0 112.074 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.69 -42.02 74.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.213 0.605 . . . . 0.0 111.956 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.7 mt -59.85 -45.78 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.697 1.199 . . . . 0.0 112.361 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.67 70.78 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.911 -1.118 . . . . 0.0 112.261 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -44.0 95.34 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.928 1.291 . . . . 0.0 113.348 170.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -40.31 93.56 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.211 1.369 . . . . 0.0 112.496 172.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -26.14 64.6 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 172.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -74.23 -50.75 17.75 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.188 0.903 . . . . 0.0 111.731 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -54.61 -21.79 11.52 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 116.083 1.882 . . . . 0.0 116.083 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.05 45.96 2.13 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-N 119.577 1.08 . . . . 0.0 114.205 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.6 -166.09 1.25 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.471 1.508 . . . . 0.0 112.125 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -79.66 -151.23 0.06 Allowed 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 124.625 1.17 . . . . 0.0 111.483 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.2 tt -108.66 -83.67 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 120.749 -1.219 . . . . 0.0 113.337 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.71 -47.73 21.01 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.85 0.75 . . . . 0.0 110.597 -173.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -52.16 -41.37 62.53 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.493 1.117 . . . . 0.0 112.062 169.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.87 75.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.835 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -60.94 -40.15 92.19 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.47 -54.56 13.68 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 121.089 -1.007 . . . . 0.0 109.563 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.58 -37.64 63.14 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.85 1.66 . . . . 0.0 114.498 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -64.29 0.86 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 110.371 170.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.95 -33.01 71.35 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -36.06 62.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.971 -171.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.96 -48.43 16.28 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.916 1.689 . . . . 0.0 112.992 169.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 33' ' ' THR . 4.4 p -175.67 -137.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -168.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 32' ' ' VAL . 17.7 p -108.59 -69.94 0.83 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 129.717 3.207 . . . . 0.0 113.641 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -164.77 -55.86 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 O-C-N 117.856 -3.028 . . . . 0.0 107.718 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.18 -34.56 25.94 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -49.92 74.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.229 0.612 . . . . 0.0 112.187 171.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -39.75 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.091 1.314 . . . . 0.0 109.888 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -49.97 -45.83 51.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -64.57 -47.31 79.18 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.041 0.937 . . . . 0.0 112.997 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.2 mt -62.91 -54.54 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 119.033 0.833 . . . . 0.0 111.569 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.9 -44.22 94.39 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.292 2.237 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 tttp . . . . . 0 CA--C 1.55 0.953 0 C-N-CA 123.38 0.672 . . . . 0.0 112.098 173.359 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -60.08 -49.14 78.84 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.85 -0.595 . . . . 0.0 110.878 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -39.31 72.82 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.844 1.202 . . . . 0.0 114.188 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -49.85 60.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -29.96 70.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.073 0.949 . . . . 0.0 112.456 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.67 -36.46 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 125.198 1.399 . . . . 0.0 111.804 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.21 86.2 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.73 -1.231 . . . . 0.0 111.692 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -38.67 60.3 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.839 0.856 . . . . 0.0 111.835 169.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.74 -44.64 92.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.892 -1.13 . . . . 0.0 112.979 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -57.04 -19.66 20.07 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.718 1.207 . . . . 0.0 113.227 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -78.04 -32.29 50.88 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.5 -44.78 27.62 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.918 1.69 . . . . 0.0 111.166 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.52 99.88 2.39 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.167 1.365 . . . . 0.0 113.442 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -136.02 -159.64 0.98 Allowed 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 126.623 1.969 . . . . 0.0 113.357 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -93.03 -138.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 128.239 2.616 . . . . 0.0 112.693 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mt -120.03 -97.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.78 1.632 . . . . 0.0 108.724 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.06 -17.09 64.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.268 -1.52 . . . . 0.0 113.543 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -81.25 -38.9 26.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.438 170.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.28 87.01 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.997 1.726 . . . . 0.0 113.589 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -69.13 -49.73 54.38 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.514 0.597 . . . . 0.0 110.855 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.47 -21.91 66.81 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.889 -1.132 . . . . 0.0 113.231 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.39 -46.1 18.23 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.797 1.18 . . . . 0.0 110.297 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -49.82 23.79 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.399 1.48 . . . . 0.0 114.284 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.48 -47.97 62.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.12 -1.46 7.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.27 -66.27 0.92 Allowed 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 170.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 33' ' ' THR . 4.6 p -170.26 -102.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 CA-C-N 120.904 1.684 . . . . 0.0 109.218 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 10.2 p -133.43 -50.49 0.86 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.323 2.649 . . . . 0.0 115.39 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -175.99 -78.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.032 -2.293 . . . . 0.0 109.461 -172.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.31 -32.18 72.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.558 -1.339 . . . . 0.0 113.539 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -46.49 87.65 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 119.149 -0.453 . . . . 0.0 111.885 176.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -35.76 65.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.802 1.183 . . . . 0.0 110.97 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.07 -45.31 68.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.54 0.609 . . . . 0.0 110.544 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -48.42 71.66 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.022 0.828 . . . . 0.0 111.567 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.11 -50.79 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.188 0.995 . . . . 0.0 112.406 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.74 -32.76 70.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.794 1.638 . . . . 0.0 113.511 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 tttt . . . . . 0 CA--C 1.542 0.665 0 O-C-N 121.492 -0.755 . . . . 0.0 111.453 174.02 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.572 -0.159 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -58.41 -46.41 86.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.125 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -43.62 96.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.473 1.488 . . . . 0.0 111.78 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -61.36 2.59 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.536 0.735 . . . . 0.0 112.882 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.85 -36.23 26.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.071 0.948 . . . . 0.0 112.601 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.5 mt -72.18 -43.52 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.174 1.389 . . . . 0.0 111.365 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.41 68.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 119.235 -2.166 . . . . 0.0 112.2 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -59.35 -36.92 76.6 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 121.377 -0.827 . . . . 0.0 112.612 169.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.03 -38.24 90.23 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 168.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.0 ttm -62.69 -37.36 86.15 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.231 -0.918 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -56.83 15.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.838 0.855 . . . . 0.0 112.281 172.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -58.76 -21.08 54.77 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.38 87.8 1.18 Allowed Glycine 0 C--N 1.34 0.78 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.5 mt -137.81 -179.05 5.53 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.44 0.696 . . . . 0.0 111.519 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -58.94 -157.35 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.584 1.954 . . . . 0.0 114.509 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.459 ' CG2' ' H ' ' A' ' 22' ' ' GLU . 10.0 tt -116.77 -97.55 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.459 ' H ' ' CG2' ' A' ' 21' ' ' ILE . 6.2 tt0 -67.12 -27.01 66.97 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.203 1.801 . . . . 0.0 113.759 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -73.71 -40.98 63.2 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.344 173.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.34 -50.64 69.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.412 1.005 . . . . 0.0 111.237 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 p -54.26 -45.66 72.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.96 0.886 . . . . 0.0 112.273 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -38.62 87.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.63 0.772 . . . . 0.0 112.803 175.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -68.1 -50.86 52.24 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 119.957 1.253 . . . . 0.0 111.671 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -47.49 9.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.652 1.181 . . . . 0.0 113.937 172.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.25 -32.62 63.03 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.1 -25.25 47.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.57 -76.9 0.18 Allowed 'General case' 0 C--O 1.231 0.122 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.606 ' CG1' ' H ' ' A' ' 33' ' ' THR . 7.5 p -157.08 -95.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.606 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 41.7 m -149.05 -39.08 0.16 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.096 2.558 . . . . 0.0 112.318 -169.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 51.8 t80 171.05 -87.71 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.949 2.499 . . . . 0.0 113.57 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.74 -39.27 76.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 120.164 1.347 . . . . 0.0 113.47 -173.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -56.43 -47.97 77.97 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.093 171.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.94 -36.76 72.75 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.075 1.761 . . . . 0.0 110.618 178.082 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.21 -52.51 63.11 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.841 1.2 . . . . 0.0 110.54 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.5 -42.39 78.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.036 1.334 . . . . 0.0 113.158 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.94 -43.44 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.638 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -46.37 65.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.148 1.779 . . . . 0.0 112.168 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mttt . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 124.46 1.104 . . . . 0.0 111.964 172.337 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 121.115 0.483 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -63.45 -47.05 83.47 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.816 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.51 -44.2 68.92 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.891 1.223 . . . . 0.0 113.449 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.9 mtt -58.91 -47.49 84.8 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -35.49 80.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 175.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.86 -44.81 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 125.35 1.46 . . . . 0.0 111.127 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.24 79.86 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.909 -1.12 . . . . 0.0 112.5 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.28 -46.7 79.6 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.627 169.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.21 -42.64 66.51 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.663 1.574 . . . . 0.0 114.781 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.2 ttt -55.55 -35.27 65.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -55.56 -47.76 75.87 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 ' H ' ' CD1' ' A' ' 17' ' ' LEU . 3.7 mp -69.32 -32.3 71.32 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.56 73.34 0.88 Allowed Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.276 0.944 . . . . 0.0 113.004 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -128.28 175.32 8.56 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.97 1.708 . . . . 0.0 111.322 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -58.15 -161.2 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 126.352 1.861 . . . . 0.0 113.802 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.445 ' CG2' ' H ' ' A' ' 22' ' ' GLU . 10.2 tt -107.73 -102.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 120.182 -1.574 . . . . 0.0 109.49 172.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.445 ' H ' ' CG2' ' A' ' 21' ' ' ILE . 43.9 mt-10 -54.63 -43.62 72.46 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.179 1.792 . . . . 0.0 112.382 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.57 -48.79 77.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.379 -0.826 . . . . 0.0 113.203 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.18 -41.3 49.15 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.222 -0.894 . . . . 0.0 112.054 172.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -62.85 -51.96 64.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.883 0.765 . . . . 0.0 112.149 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.95 -54.01 51.15 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.283 -0.886 . . . . 0.0 112.011 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -47.58 -55.9 8.29 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.301 1.44 . . . . 0.0 112.604 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -53.44 1.98 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.554 1.142 . . . . 0.0 112.024 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.98 -37.99 69.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.787 1.235 . . . . 0.0 114.112 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.04 60.71 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.916 1.687 . . . . 0.0 115.526 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -65.75 0.63 Allowed 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 112.794 -2.003 . . . . 0.0 107.184 168.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.544 ' CG2' ' H ' ' A' ' 33' ' ' THR . 11.5 p 176.72 -132.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.536 3.83 1 O-C-N 129.34 4.15 . . . . 0.0 118.046 -169.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.544 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 27.9 m -106.52 -53.53 2.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.733 2.013 . . . . 0.0 114.312 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 55.5 t80 -177.53 -56.81 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 125.911 3.96 . . . . 0.0 109.645 -174.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -35.61 36.78 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 126.2 1.8 . . . . 0.0 112.756 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -64.95 -54.28 33.13 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.64 170.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -47.56 84.07 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.329 1.422 . . . . 0.0 109.241 -177.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tp -45.82 -44.24 13.99 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.6 0.563 . . . . 0.0 111.872 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -41.2 80.43 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.75 -49.83 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 124.649 1.18 . . . . 0.0 110.813 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.34 -45.87 87.3 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.499 2.32 . . . . 0.0 111.414 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 173.238 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -50.75 64.54 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.271 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.2 -48.09 77.08 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.897 1.226 . . . . 0.0 113.565 177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.1 mtt -59.34 -47.04 86.91 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.808 1.185 . . . . 0.0 114.113 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -35.57 80.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.254 1.022 . . . . 0.0 112.162 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.81 -43.65 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 125.82 1.648 . . . . 0.0 111.512 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.17 81.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.271 -1.518 . . . . 0.0 111.894 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -40.56 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.099 0.96 . . . . 0.0 112.122 169.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.76 -45.65 89.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.6 tpt -56.42 -34.69 67.02 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -34.53 72.32 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.68 -31.86 46.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 171.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.84 97.11 2.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.278 0.942 . . . . 0.0 111.093 -174.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.45 178.07 8.55 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.132 1.773 . . . . 0.0 111.656 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -63.38 -173.42 0.06 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.225 1.81 . . . . 0.0 114.312 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.64 -116.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 125.148 1.379 . . . . 0.0 111.091 167.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -49.87 -42.48 47.79 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.555 1.942 . . . . 0.0 114.028 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.51 -41.74 99.04 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.321 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.58 87.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.201 170.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -63.65 -52.14 62.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.933 1.242 . . . . 0.0 111.634 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.14 -40.85 86.78 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.26 -0.9 . . . . 0.0 112.794 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -63.5 -46.52 85.72 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.797 1.239 . . . . 0.0 112.229 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -55.24 9.98 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.81 -44.59 80.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.03 -27.04 67.81 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -79.97 -66.4 0.88 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG2' ' H ' ' A' ' 33' ' ' THR . 12.2 p -167.42 -123.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.462 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 26.8 p -123.06 -35.07 3.06 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 127.419 2.288 . . . . 0.0 116.316 -174.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.3 t80 172.71 -78.99 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 128.066 2.546 . . . . 0.0 109.472 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.88 -38.04 81.09 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -49.37 73.69 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 174.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.88 -40.41 79.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.118 -0.988 . . . . 0.0 110.016 -174.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.71 -57.37 5.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.594 1.158 . . . . 0.0 110.078 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.93 -38.51 62.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.455 1.102 . . . . 0.0 112.393 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.36 -36.66 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 125.428 1.491 . . . . 0.0 113.486 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.13 -45.24 61.35 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.422 1.489 . . . . 0.0 111.3 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.97 0 C-N-CA 125.759 1.624 . . . . 0.0 112.768 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.94 -51.97 67.03 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 117.892 -1.052 . . . . 0.0 111.945 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -52.4 40.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.612 1.551 . . . . 0.0 112.927 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.2 ttm -59.94 -39.52 85.79 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.505 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -37.03 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.572 -1.204 . . . . 0.0 113.162 172.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.0 mt -66.92 -41.31 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 122.524 2.42 . . . . 0.0 111.236 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.4 50.27 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.508 -0.745 . . . . 0.0 112.202 169.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 7.0 mtt-85 -61.61 -36.41 80.66 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 169.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -63.0 -49.8 73.24 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 120.367 -1.458 . . . . 0.0 113.237 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -44.19 37.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.597 1.09 . . . . 0.0 113.649 171.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -55.15 -42.41 73.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.2 mt -74.51 -20.31 60.03 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 172.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.88 66.04 0.8 Allowed Glycine 0 N--CA 1.475 1.243 0 CA-C-N 122.144 2.247 . . . . 0.0 110.704 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.8 mt -137.42 178.59 6.98 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 125.71 1.604 . . . . 0.0 111.298 -169.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -63.44 -159.99 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 127.154 2.182 . . . . 0.0 112.951 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -123.55 -83.86 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.911 -1.743 . . . . 0.0 111.218 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.58 -32.3 64.05 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.544 0.738 . . . . 0.0 111.619 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.18 -45.83 58.77 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.504 173.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.56 80.24 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 120.568 1.531 . . . . 0.0 113.034 169.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -49.94 -42.93 49.56 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.112 1.324 . . . . 0.0 113.802 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 -31.67 62.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.341 173.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -67.76 -60.67 2.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 119.865 1.212 . . . . 0.0 109.453 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -36.54 -62.27 0.47 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.185 1.794 . . . . 0.0 115.108 169.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.75 -30.96 70.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -79.49 -47.75 15.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.747 0.784 . . . . 0.0 112.14 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -69.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 127.094 2.158 . . . . 0.0 109.002 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 p -173.73 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -165.5 -58.06 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 128.407 2.683 . . . . 0.0 110.492 -168.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 16.2 t80 178.15 -55.28 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 123.696 2.953 . . . . 0.0 110.615 169.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.62 -39.3 93.47 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.833 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -46.3 64.81 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.776 175.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.11 -43.86 81.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 122.118 2.235 . . . . 0.0 111.488 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tt -44.26 -43.04 7.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.099 0.409 . . . . 0.0 110.746 171.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.66 92.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.99 -46.27 35.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 120.796 1.635 . . . . 0.0 112.546 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.5 -57.56 10.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.029 1.732 . . . . 0.0 110.897 171.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tttp . . . . . 0 CA--C 1.566 1.58 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.568 178.802 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.78 0.324 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.5 -46.19 91.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.382 0.673 . . . . 0.0 110.779 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.93 -45.73 86.1 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.081 1.752 . . . . 0.0 112.391 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 28.0 ttm -58.38 -46.28 86.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -68.51 -43.05 77.64 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.288 -0.882 . . . . 0.0 111.304 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.27 -39.0 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.814 1.245 . . . . 0.0 112.334 170.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.11 -31.57 70.37 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.652 -1.28 . . . . 0.0 112.978 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.4 -30.85 71.51 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.004 -1.06 . . . . 0.0 112.958 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.63 -47.62 66.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.942 1.297 . . . . 0.0 111.604 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -45.94 64.95 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.737 -1.574 . . . . 0.0 110.091 173.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 m -62.71 -16.95 59.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.24 -35.88 11.11 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.975 1.261 . . . . 0.0 111.813 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.56 97.28 2.42 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.89 1.71 . . . . 0.0 110.81 -172.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.2 mt -143.71 178.84 7.53 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 125.658 1.583 . . . . 0.0 112.173 173.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 m -73.16 -153.76 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 126.887 2.075 . . . . 0.0 114.016 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.29 13.9 tt -103.41 -101.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 116.728 -1.605 . . . . 0.0 113.232 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.67 -45.93 77.33 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.035 2.652 . . . . 0.0 108.996 -175.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -50.39 -38.1 40.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 167.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -34.59 77.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 117.503 -1.679 . . . . 0.0 112.995 169.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 p -68.58 -58.96 3.51 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.62 -20.11 12.7 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 169.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -83.33 -31.18 26.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.473 0.578 . . . . 0.0 111.493 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -53.07 32.0 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 120.665 -1.272 . . . . 0.0 111.34 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.17 -48.95 71.69 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.433 0.693 . . . . 0.0 111.976 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -57.23 -40.35 77.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 118.906 -1.118 . . . . 0.0 111.506 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.5 -51.07 60.65 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 116.155 -1.878 . . . . 0.0 113.158 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.554 ' CG1' ' H ' ' A' ' 33' ' ' THR . 4.3 p 179.95 -102.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.845 0 CA-C-N 124.26 3.209 . . . . 0.0 108.151 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.554 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 85.6 m -148.33 -72.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.262 3.025 . . . . 0.0 109.272 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -151.68 -64.44 0.18 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.25 -35.57 81.43 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.84 0.745 . . . . 0.0 111.84 -171.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -60.22 -60.36 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.47 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -60.43 -32.26 71.19 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.508 1.504 . . . . 0.0 111.226 -178.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.83 -51.18 70.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.637 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.46 -54.76 41.68 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.491 1.041 . . . . 0.0 112.289 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.2 mt -54.54 -56.25 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.481 1.112 . . . . 0.0 111.588 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.201 1.8 . . . . 0.0 113.359 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 O-C-N 121.299 -0.876 . . . . 0.0 111.869 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 119.947 -0.073 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -62.04 -50.33 72.42 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.187 0.995 . . . . 0.0 110.331 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.38 -50.71 68.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.626 1.17 . . . . 0.0 113.437 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.8 mmt -57.83 -40.95 81.27 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.121 0.962 . . . . 0.0 113.022 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -39.47 90.95 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.019 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -65.81 -41.11 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.528 1.513 . . . . 0.0 110.928 174.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.43 -37.15 64.81 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.055 -1.028 . . . . 0.0 112.8 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -61.72 -38.28 87.32 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.51 -43.96 97.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.536 1.062 . . . . 0.0 113.612 171.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtt -59.12 -37.57 77.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.464 1.029 . . . . 0.0 113.278 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -41.16 91.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 mt -75.82 -29.0 58.5 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.47 92.79 2.06 Favored Glycine 0 N--CA 1.47 0.901 0 C-N-CA 124.804 1.193 . . . . 0.0 111.319 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.9 mt -146.51 178.08 8.56 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 126.384 1.873 . . . . 0.0 110.608 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -66.68 -163.43 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.498 1.519 . . . . 0.0 113.399 175.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.06 -95.71 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.644 -1.285 . . . . 0.0 110.142 170.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.67 -41.66 86.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.414 1.461 . . . . 0.0 114.906 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.7 -42.01 99.42 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.867 0.467 . . . . 0.0 111.514 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.05 84.42 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.732 -1.128 . . . . 0.0 112.306 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -51.92 -57.95 7.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.71 1.595 . . . . 0.0 112.089 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.9 -49.78 58.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.663 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.17 -49.99 74.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.616 1.098 . . . . 0.0 113.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -58.59 4.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.404 1.481 . . . . 0.0 111.874 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.12 -38.59 91.61 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.79 -26.08 62.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.794 1.238 . . . . 0.0 114.038 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.54 -52.31 7.36 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.362 1.065 . . . . 0.0 109.443 170.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 33' ' ' THR . 14.5 p 176.31 -121.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 127.862 2.465 . . . . 0.0 117.184 -171.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.433 ' H ' HG23 ' A' ' 32' ' ' VAL . 89.5 m -131.42 -34.33 1.4 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.642 2.777 . . . . 0.0 112.545 -171.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 56.5 t80 170.03 -84.63 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.905 2.082 . . . . 0.0 112.778 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -58.53 -35.95 73.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.362 0.983 . . . . 0.0 113.351 -171.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.44 -53.35 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.877 0.871 . . . . 0.0 111.953 170.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -65.44 -40.09 92.84 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.945 1.248 . . . . 0.0 111.018 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tt -52.94 -48.16 67.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.087 0.955 . . . . 0.0 110.479 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.8 -42.67 89.63 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.41 -39.12 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 124.126 0.97 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.75 -44.03 71.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.43 1.892 . . . . 0.0 111.479 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 tptp . . . . . 0 CA--C 1.549 0.928 0 O-C-N 120.796 -1.19 . . . . 0.0 112.098 173.655 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 111.173 0.064 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -60.82 -51.31 69.84 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.798 0.839 . . . . 0.0 110.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.65 -42.43 78.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.418 1.487 . . . . 0.0 113.432 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt -65.77 -44.88 84.5 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -37.08 82.32 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.2 -0.937 . . . . 0.0 113.081 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 mt -60.7 -45.71 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 119.625 1.102 . . . . 0.0 111.857 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.72 67.0 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.473 -0.767 . . . . 0.0 112.835 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.82 71.62 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 170.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.93 -42.27 77.01 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.94 -1.1 . . . . 0.0 112.002 174.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -31.92 61.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -65.58 -51.29 60.89 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 169.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -40.15 74.8 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.659 1.118 . . . . 0.0 114.013 172.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.67 50.37 0.7 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.362 1.458 . . . . 0.0 114.514 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.55 -148.43 0.17 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 121.745 2.772 . . . . 0.0 111.965 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -98.0 -123.7 0.14 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 126.923 2.089 . . . . 0.0 111.817 -174.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.02 -101.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.091 1.756 . . . . 0.0 112.659 170.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -36.21 78.86 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 123.416 2.825 . . . . 0.0 112.29 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.97 -36.76 77.81 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.304 169.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.13 97.02 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.734 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -62.45 -48.13 80.99 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.113 0.869 . . . . 0.0 112.34 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -40.21 96.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.708 -1.245 . . . . 0.0 112.94 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -60.57 -48.78 80.26 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.384 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.984 1.714 . . . . 0.0 112.088 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.67 -40.61 84.44 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -60.52 -61.37 2.64 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 118.458 0.572 . . . . 0.0 109.46 169.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.38 -54.25 11.72 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.664 2.478 . . . . 0.0 107.721 -169.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.618 ' CG2' ' H ' ' A' ' 33' ' ' THR . 7.1 p 176.9 -137.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 127.247 2.219 . . . . 0.0 113.372 169.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.618 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 61.8 m -84.83 -54.68 4.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 127.771 2.429 . . . . 0.0 112.268 172.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 173.75 -46.81 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.845 0 O-C-N 116.935 -3.603 . . . . 0.0 107.811 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.28 -38.55 78.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 128.265 2.626 . . . . 0.0 115.482 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -71.64 -49.44 39.96 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.837 1.199 . . . . 0.0 110.765 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.462 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.59 -43.66 96.31 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.826 -1.171 . . . . 0.0 111.209 175.426 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.01 -39.84 28.44 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -42.44 74.55 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 176.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.37 -56.04 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 120.697 -1.252 . . . . 0.0 111.942 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.78 -43.63 90.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.538 1.935 . . . . 0.0 112.02 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 N--CA 1.485 1.285 0 C-N-CA 123.509 0.724 . . . . 0.0 112.083 172.354 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 119.11 -0.471 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -54.9 -52.55 62.54 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.302 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.46 -44.63 80.73 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 120.16 1.345 . . . . 0.0 113.995 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.2 mtt -63.45 -43.88 96.09 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.86 -39.77 91.04 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.262 0.625 . . . . 0.0 112.024 173.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.9 mt -60.18 -40.98 85.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 125.021 1.328 . . . . 0.0 111.411 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.89 76.56 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.93 -1.106 . . . . 0.0 112.065 173.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -59.34 -44.58 92.62 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.631 1.173 . . . . 0.0 112.794 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.32 85.47 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.923 -1.111 . . . . 0.0 113.011 174.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.15 73.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.818 0.847 . . . . 0.0 112.163 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -62.1 -42.68 99.46 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.4 -4.87 28.71 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.15 83.04 0.72 Allowed Glycine 0 CA--C 1.539 1.556 0 CA-C-N 120.179 1.354 . . . . 0.0 113.644 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -145.49 170.82 15.65 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.313 1.845 . . . . 0.0 112.95 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -62.68 -171.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.165 1.786 . . . . 0.0 113.851 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.3 mp -94.48 -86.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.241 -1.537 . . . . 0.0 111.66 172.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.76 -35.66 65.02 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 119.487 1.04 . . . . 0.0 112.513 -172.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.38 -44.6 90.86 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.567 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.7 72.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 p -73.09 -35.38 66.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 121.431 1.923 . . . . 0.0 112.126 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.294 -0.879 . . . . 0.0 111.056 177.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -69.32 -39.58 78.15 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.665 1.586 . . . . 0.0 112.361 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -56.13 20.58 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.865 172.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.1 -49.93 72.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -61.96 -15.48 43.99 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.44 -63.19 1.32 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 169.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.425 ' CG2' ' H ' ' A' ' 33' ' ' THR . 11.6 p -172.98 -126.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.425 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 17.8 p -122.62 -30.17 3.93 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.051 2.141 . . . . 0.0 116.347 -169.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.8 t80 163.19 -80.37 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 129.62 3.168 . . . . 0.0 109.29 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.86 -34.2 77.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -46.54 85.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 173.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -38.43 72.39 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.394 1.452 . . . . 0.0 109.124 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tt -51.73 -44.7 63.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.877 0.871 . . . . 0.0 111.041 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.72 -45.48 82.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.33 -48.12 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.77 1.228 . . . . 0.0 111.032 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.46 -36.44 76.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.426 1.89 . . . . 0.0 112.283 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mttp . . . . . 0 N--CA 1.479 1.024 0 CA-C-N 120.259 1.391 . . . . 0.0 112.661 169.677 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -54.84 -54.39 43.01 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.328 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.86 -50.0 69.74 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.597 1.544 . . . . 0.0 113.88 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.35 -43.01 99.82 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.21 -37.9 88.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.969 1.308 . . . . 0.0 111.266 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.4 mt -70.05 -43.71 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.793 1.637 . . . . 0.0 111.382 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.34 82.78 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 119.57 -1.956 . . . . 0.0 112.833 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -37.64 67.26 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.689 1.196 . . . . 0.0 112.247 169.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.36 -42.91 96.74 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.7 mtp -59.95 -37.18 78.8 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.829 -0.544 . . . . 0.0 112.388 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 m -60.4 -37.76 81.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -29.13 63.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 173.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.83 96.22 1.55 Allowed Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.0 mt -144.45 175.57 10.02 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.973 1.709 . . . . 0.0 113.422 173.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 m -64.59 -154.54 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 126.983 2.113 . . . . 0.0 113.428 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.2 mt -112.75 -100.59 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 119.981 -1.699 . . . . 0.0 108.987 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.12 70.78 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 120.333 1.424 . . . . 0.0 112.901 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.08 -46.55 50.92 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.511 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.33 63.09 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 171.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 p -68.25 -41.31 81.33 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.98 1.371 . . . . 0.0 110.576 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -35.27 73.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.048 173.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -72.37 -52.31 16.62 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 120.812 1.642 . . . . 0.0 106.97 -175.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -38.63 -46.97 1.27 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 168.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -22.13 46.42 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.04 -38.85 17.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.153 0.981 . . . . 0.0 112.873 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -71.52 0.18 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 127.293 2.237 . . . . 0.0 107.014 174.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -164.3 -77.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.327 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 171.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.2 p -160.41 -51.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.079 2.152 . . . . 0.0 110.294 -167.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.5 t80 176.68 -70.35 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.918 2.487 . . . . 0.0 108.316 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.21 -39.44 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -172.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -68.13 -48.19 66.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.397 0.279 . . . . 0.0 111.198 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -47.21 71.1 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 117.625 -1.178 . . . . 0.0 109.518 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tt -42.19 -53.65 3.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.257 1.423 . . . . 0.0 110.891 172.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.23 -40.6 82.15 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.961 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.8 mt -73.03 -49.21 40.5 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 125.445 1.498 . . . . 0.0 111.928 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.71 -45.83 81.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.297 2.639 . . . . 0.0 112.563 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.9 mttt . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 124.587 1.155 . . . . 0.0 112.974 168.509 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 111.16 0.059 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -61.9 -45.73 92.48 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 123.187 0.595 . . . . 0.0 109.634 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.21 -40.69 98.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.619 0.645 . . . . 0.0 111.888 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.79 -57.31 9.25 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.547 -1.346 . . . . 0.0 114.172 172.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -28.61 6.1 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 171.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.2 mt -72.68 -45.18 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.39 82.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.126 -1.608 . . . . 0.0 111.813 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -54.33 -44.42 72.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.76 1.224 . . . . 0.0 111.943 169.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.69 -35.88 73.32 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -35.56 77.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.191 -0.913 . . . . 0.0 113.198 173.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -43.52 90.13 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 119.035 0.834 . . . . 0.0 112.123 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.01 -3.88 41.29 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.062 1.345 . . . . 0.0 113.895 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.49 85.66 0.15 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.351 1.453 . . . . 0.0 112.02 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -135.6 166.98 21.96 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 126.03 1.732 . . . . 0.0 109.237 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -64.47 -164.62 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.926 1.691 . . . . 0.0 113.97 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.446 ' CG2' ' H ' ' A' ' 22' ' ' GLU . 21.2 tt -87.08 -107.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 119.97 -1.706 . . . . 0.0 115.587 165.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.446 ' H ' ' CG2' ' A' ' 21' ' ' ILE . 5.0 pt-20 -47.13 -47.6 23.45 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 127.19 2.196 . . . . 0.0 112.796 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.16 -43.95 98.08 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 113.235 -1.802 . . . . 0.0 110.829 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.75 82.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.178 0.899 . . . . 0.0 112.081 168.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -62.68 -51.11 68.49 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.544 1.066 . . . . 0.0 112.371 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.58 -40.81 96.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.633 -1.292 . . . . 0.0 111.487 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -60.38 -41.46 93.81 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.051 0.844 . . . . 0.0 112.576 175.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -48.54 81.31 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.069 2.148 . . . . 0.0 112.944 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -43.47 53.53 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.696 1.199 . . . . 0.0 110.833 -174.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.15 -59.61 4.69 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.794 0.838 . . . . 0.0 109.636 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.67 -38.85 49.0 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 115.475 -2.203 . . . . 0.0 115.509 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.61 ' CG1' ' H ' ' A' ' 33' ' ' THR . 5.6 p 162.51 -95.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.61 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 89.9 m -158.97 -94.7 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 130.17 3.388 . . . . 0.0 105.881 -167.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 45.1 t80 -137.82 -64.1 0.55 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.311 -2.118 . . . . 0.0 114.858 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.78 -43.16 97.18 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 119.756 1.162 . . . . 0.0 111.81 -170.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 -48.67 55.88 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 171.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -39.02 77.53 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 118.767 0.712 . . . . 0.0 110.341 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.01 -50.51 73.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.07 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.01 -50.15 73.61 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.991 1.268 . . . . 0.0 112.454 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.32 -48.89 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 O-C-N 123.783 0.677 . . . . 0.0 111.175 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.44 -32.31 66.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.537 1.935 . . . . 0.0 114.187 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mttt . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 120.077 1.308 . . . . 0.0 110.244 170.001 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -54.67 44.29 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.378 176.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.65 -31.36 66.23 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.5 mtt -75.24 -46.91 30.8 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.1 85.07 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.434 -0.791 . . . . 0.0 112.093 173.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.59 -46.76 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 124.833 1.253 . . . . 0.0 111.069 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.12 86.3 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.384 -1.447 . . . . 0.0 113.104 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -37.12 51.01 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 121.238 -0.914 . . . . 0.0 112.439 170.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.6 -42.77 95.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -59.93 -23.24 63.37 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 172.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -24.5 54.32 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 171.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.1 -26.39 26.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.63 1.172 . . . . 0.0 113.772 171.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.7 72.02 0.94 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.122 0.867 . . . . 0.0 112.691 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.3 mt -119.77 -162.56 0.93 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.524 1.53 . . . . 0.0 111.382 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 24' ' ' ALA . 20.2 m -87.13 -110.99 0.06 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.715 2.006 . . . . 0.0 113.978 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.406 ' CG2' ' H ' ' A' ' 22' ' ' GLU . 13.1 tt -152.57 -100.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 C-N-CA 127.889 2.476 . . . . 0.0 113.199 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.406 ' H ' ' CG2' ' A' ' 21' ' ' ILE . 2.6 mt-10 -65.12 -48.56 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.697 -1.877 . . . . 0.0 111.718 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -39.52 72.2 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.909 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 20' ' ' SER . . . -62.64 -40.51 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 171.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -59.85 -52.1 66.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 111.842 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.56 -35.18 78.66 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.971 -1.081 . . . . 0.0 113.529 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -65.3 -46.7 79.33 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.031 0.532 . . . . 0.0 112.019 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -47.83 65.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.497 2.319 . . . . 0.0 113.824 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.84 -39.76 50.11 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 -178.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.68 -56.21 23.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.642 0.377 . . . . 0.0 110.432 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.74 -56.53 14.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 117.193 -1.384 . . . . 0.0 114.623 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.584 ' CG1' ' H ' ' A' ' 33' ' ' THR . 7.4 p 177.62 -107.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 124.998 1.319 . . . . 0.0 112.953 -171.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.584 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 24.5 m -143.9 -97.95 0.11 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 130.636 3.574 . . . . 0.0 105.121 -173.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.96 -66.12 0.76 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.53 -36.78 83.68 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.503 1.502 . . . . 0.0 114.024 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -53.37 59.08 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.619 -0.675 . . . . 0.0 112.69 173.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -36.13 83.31 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.447 1.021 . . . . 0.0 111.258 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.84 -41.08 67.03 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.243 0.929 . . . . 0.0 111.995 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.37 -46.8 53.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.755 0.707 . . . . 0.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.84 -47.99 89.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 124.153 0.981 . . . . 0.0 111.405 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.67 -27.93 61.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 113.068 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.0 mttt . . . . . 0 N--CA 1.474 0.773 0 CA-C-N 121.087 1.767 . . . . 0.0 111.485 169.723 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.5 t . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 111.372 0.138 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -55.88 -49.18 74.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.702 0.801 . . . . 0.0 110.527 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -42.91 95.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.151 1.381 . . . . 0.0 113.552 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 tpt -63.79 -48.04 78.51 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 112.621 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -38.1 84.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.966 0.906 . . . . 0.0 112.128 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mt -62.94 -40.12 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 120.81 -1.181 . . . . 0.0 111.307 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.14 72.79 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.973 -1.079 . . . . 0.0 111.98 174.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.12 -43.69 91.97 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.298 -0.876 . . . . 0.0 113.001 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -37.94 82.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.591 1.087 . . . . 0.0 112.897 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.96 76.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.636 -0.665 . . . . 0.0 111.928 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -31.26 72.08 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.18 -0.61 50.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 172.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.7 83.03 0.51 Allowed Glycine 0 CA--C 1.534 1.262 0 CA-C-N 121.012 1.733 . . . . 0.0 112.864 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.9 mt -143.13 174.28 10.83 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.396 1.478 . . . . 0.0 112.645 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 m -64.76 -166.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.674 1.989 . . . . 0.0 113.183 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.2 mt -102.53 -80.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 119.72 -1.862 . . . . 0.0 111.596 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -39.05 49.5 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.243 0.929 . . . . 0.0 111.843 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.1 -44.03 97.98 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.273 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.7 79.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.867 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 p -60.42 -39.59 88.0 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.484 1.493 . . . . 0.0 114.432 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.33 -40.48 64.43 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.471 -0.768 . . . . 0.0 111.337 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.91 -44.56 96.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.656 1.183 . . . . 0.0 112.308 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -61.34 2.24 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.488 1.115 . . . . 0.0 110.959 171.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -24.22 67.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.99 -20.77 25.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -84.35 -51.27 7.1 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CG2' ' H ' ' A' ' 33' ' ' THR . 15.0 p 176.4 -121.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 127.734 2.414 . . . . 0.0 116.699 -172.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.408 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 32.0 m -129.06 -37.02 1.72 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 128.339 2.656 . . . . 0.0 113.287 -168.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.6 t80 166.82 -83.24 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.719 2.408 . . . . 0.0 111.171 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.87 -31.88 73.08 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -51.0 67.18 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.702 174.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -37.91 86.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.611 1.096 . . . . 0.0 110.128 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.32 -52.38 45.84 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.147 173.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.2 -42.5 91.06 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.97 -46.16 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.196 0.999 . . . . 0.0 111.936 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.13 -38.65 69.21 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.031 2.132 . . . . 0.0 112.691 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt . . . . . 0 N--CA 1.475 0.812 0 O-C-N 120.886 -1.134 . . . . 0.0 111.545 169.545 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -58.85 -53.33 59.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.458 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -41.01 66.5 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.731 1.612 . . . . 0.0 114.307 175.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 ttt -69.48 -42.6 74.62 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -30.43 67.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.128 0.971 . . . . 0.0 112.783 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.9 -39.94 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 124.562 1.145 . . . . 0.0 111.274 172.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.33 88.95 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.731 -1.231 . . . . 0.0 112.131 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -55.5 -34.41 64.58 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.7 1.2 . . . . 0.0 113.446 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.38 -43.66 89.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.653 1.181 . . . . 0.0 112.39 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 tpp -58.97 -25.35 63.51 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.653 0.781 . . . . 0.0 112.669 173.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.97 -10.98 59.99 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.2 mt -111.08 -3.85 15.31 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.67 1.588 . . . . 0.0 113.486 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.55 77.64 1.23 Allowed Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.024 0.821 . . . . 0.0 113.294 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -140.26 165.63 26.87 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.139 1.776 . . . . 0.0 113.955 -175.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -161.04 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.025 1.73 . . . . 0.0 112.568 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.77 -76.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 120.431 -1.418 . . . . 0.0 111.429 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.76 -44.13 17.43 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 118.776 0.716 . . . . 0.0 110.95 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.91 -45.84 89.36 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.38 69.31 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.821 170.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.9 m -55.26 -47.68 75.09 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.872 1.215 . . . . 0.0 112.98 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.85 -51.31 59.9 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.796 -0.565 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.58 -48.81 63.03 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -58.45 4.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.931 1.292 . . . . 0.0 111.058 174.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.08 89.36 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -11.32 59.8 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.51 -42.08 8.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.52 1.128 . . . . 0.0 110.512 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' ' H ' ' A' ' 33' ' ' THR . 11.9 p 162.18 -125.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 127.89 3.244 . . . . 0.0 117.784 -172.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.466 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 31.5 p -124.37 -40.01 2.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 128.353 2.661 . . . . 0.0 115.894 -169.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.1 t80 177.32 -69.73 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 123.68 2.946 . . . . 0.0 110.064 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -37.8 74.31 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.102 0.961 . . . . 0.0 112.67 -174.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -44.51 96.67 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 118.855 -0.593 . . . . 0.0 112.595 174.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.9 -38.95 73.03 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.154 1.343 . . . . 0.0 110.263 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -44.59 48.25 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.928 0.785 . . . . 0.0 111.014 175.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.79 -42.13 91.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 112.488 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.33 -48.15 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.274 1.029 . . . . 0.0 112.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.11 -45.73 91.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.871 2.069 . . . . 0.0 112.541 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.551 0.981 0 C-N-CA 123.167 0.587 . . . . 0.0 111.677 174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -54.3 46.09 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.766 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.45 -43.52 71.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.195 1.362 . . . . 0.0 114.007 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -52.16 64.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.487 0.715 . . . . 0.0 112.819 174.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -36.86 78.99 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.095 0.958 . . . . 0.0 112.41 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.7 mt -64.12 -44.91 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.768 1.627 . . . . 0.0 111.327 173.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.14 -37.44 72.02 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.976 -1.077 . . . . 0.0 112.108 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.95 75.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.827 0.851 . . . . 0.0 112.779 171.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.19 -43.97 92.21 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.176 -0.953 . . . . 0.0 112.417 173.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ttt -60.1 -28.24 67.67 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -60.96 -52.3 65.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.841 1.201 . . . . 0.0 111.884 169.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.29 -35.41 71.77 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 170.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.85 79.33 1.33 Allowed Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.76 1.171 . . . . 0.0 111.367 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 mt -134.24 169.62 16.93 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-N 120.232 2.016 . . . . 0.0 110.087 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -55.67 -159.29 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 126.086 1.754 . . . . 0.0 113.728 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.9 mt -108.8 -97.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.329 -2.107 . . . . 0.0 109.364 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.11 -28.6 67.47 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.665 1.586 . . . . 0.0 112.911 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -49.2 43.57 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.966 -1.47 . . . . 0.0 112.175 171.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.95 76.36 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 120.962 1.71 . . . . 0.0 113.374 168.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -48.18 -50.35 29.35 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.359 1.436 . . . . 0.0 113.492 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -73.86 -26.04 60.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -69.21 -61.4 1.81 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.495 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.83 -63.01 0.28 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.423 2.289 . . . . 0.0 113.92 169.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -34.23 77.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.96 -43.54 65.02 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.598 1.19 . . . . 0.0 113.595 169.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.288 0.6 OUTLIER -53.91 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 111.819 -2.446 . . . . 0.0 109.132 175.276 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.578 ' CG2' ' H ' ' A' ' 33' ' ' THR . 6.7 p 173.9 -132.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 C-N-CA 127.873 2.469 . . . . 0.0 108.355 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.578 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 41.0 p -92.32 -57.75 2.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.523 2.729 . . . . 0.0 117.115 171.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.3 t80 179.96 -48.6 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.589 2 CA-C-N 127.178 4.535 . . . . 0.0 108.961 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.32 -35.94 61.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 126.336 1.854 . . . . 0.0 114.482 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -49.13 60.72 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.675 -0.641 . . . . 0.0 110.998 174.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.413 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -66.23 -43.37 86.83 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.578 -1.326 . . . . 0.0 110.154 178.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tt -44.86 -43.12 8.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 124.034 0.833 . . . . 0.0 109.87 172.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.63 -38.96 77.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -73.35 -50.08 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 119.754 1.161 . . . . 0.0 111.772 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.07 -45.99 86.28 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.721 2.408 . . . . 0.0 111.752 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt . . . . . 0 N--CA 1.484 1.235 0 O-C-N 122.205 -0.309 . . . . 0.0 111.729 173.57 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.026 -0.035 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -55.43 -47.76 75.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.204 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -37.64 84.38 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.121 0.969 . . . . 0.0 113.091 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -54.48 13.11 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.325 1.05 . . . . 0.0 113.088 177.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.02 -45.21 67.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.841 -1.162 . . . . 0.0 112.448 170.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.7 mt -54.5 -41.24 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.942 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.55 -34.97 78.97 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.542 -1.349 . . . . 0.0 113.033 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -60.69 -37.11 80.55 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.852 -1.155 . . . . 0.0 113.867 171.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.44 -30.74 69.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.213 1.005 . . . . 0.0 112.668 173.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ttt -66.4 -40.3 89.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.397 171.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -45.93 82.97 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -69.22 -32.16 71.22 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.807 -1.183 . . . . 0.0 113.363 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.75 86.33 1.89 Allowed Glycine 0 N--CA 1.47 0.94 0 C-N-CA 125.86 1.695 . . . . 0.0 113.346 170.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.6 -160.12 0.87 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 126.344 1.858 . . . . 0.0 110.633 -176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -72.85 -131.33 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.56 1.544 . . . . 0.0 113.961 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 mp -138.47 -107.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 128.153 2.581 . . . . 0.0 107.27 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -19.48 40.51 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 122.18 2.264 . . . . 0.0 116.458 177.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.93 -36.29 18.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 112.688 -2.051 . . . . 0.0 113.714 169.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.8 92.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.137 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -60.57 -55.82 28.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.76 1.618 . . . . 0.0 112.758 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -27.71 67.68 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -74.38 -35.08 63.5 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -52.26 61.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.166 1.387 . . . . 0.0 112.392 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.0 -52.78 54.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.875 0.87 . . . . 0.0 111.235 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -54.54 -46.35 73.59 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.587 0.554 . . . . 0.0 110.559 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.81 -41.76 98.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 115.597 -2.144 . . . . 0.0 114.672 174.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.598 ' CG1' ' H ' ' A' ' 33' ' ' THR . 4.3 p 169.24 -93.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 122.437 2.38 . . . . 0.0 113.639 -173.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.598 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 73.3 m -162.93 -78.67 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 129.464 3.106 . . . . 0.0 108.363 -168.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -147.39 -67.87 0.25 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.27 -39.67 92.89 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.652 1.569 . . . . 0.0 113.628 -170.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -54.22 21.87 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 169.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -62.61 -38.3 89.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.753 -179.188 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.37 -47.0 87.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.023 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -59.51 -55.19 37.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.616 1.166 . . . . 0.0 112.277 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.07 -46.28 77.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.681 0.792 . . . . 0.0 112.223 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.14 -42.8 93.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.886 1.274 . . . . 0.0 112.921 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 123.084 0.553 . . . . 0.0 110.736 176.439 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.192 0.044 . . . . 0.01 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mp -120.77 6.38 10.46 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.484 1.514 . . . . 0.0 113.683 -173.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -68.94 146.34 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.723 1.209 . . . . 0.0 111.718 174.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.02 -27.65 63.74 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.079 -1.013 . . . . 0.0 113.568 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.41 -33.72 63.78 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.364 1.866 . . . . 0.0 113.567 172.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.64 -51.49 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.265 0.939 . . . . 0.0 110.419 172.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -54.27 -51.43 64.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.931 0.493 . . . . 0.0 109.95 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.23 -41.98 94.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.871 1.268 . . . . 0.0 113.974 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.3 ttm -63.08 -47.19 83.95 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.25 1.02 . . . . 0.0 113.005 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.53 -31.93 73.35 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.969 1.307 . . . . 0.0 111.585 176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.41 -41.25 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.411 1.084 . . . . 0.0 111.648 171.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.98 73.84 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.12 -1.612 . . . . 0.0 112.035 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -57.51 -37.7 73.43 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.041 0.936 . . . . 0.0 112.435 169.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 21.5 mt -58.58 -46.78 86.22 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -34.41 73.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 m -64.87 -37.13 86.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.5 mt -79.06 -29.14 43.31 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.97 95.81 2.14 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -144.33 179.9 6.95 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.735 1.214 . . . . 0.0 111.75 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -65.74 -162.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.741 1.617 . . . . 0.0 112.896 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mt -105.9 -98.94 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 120.264 -1.522 . . . . 0.0 108.588 171.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.13 -43.86 95.37 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.74 -43.0 94.41 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 170.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.79 65.74 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.167 -0.92 . . . . 0.0 111.861 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -59.41 -54.98 40.41 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.009 1.277 . . . . 0.0 112.229 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -46.43 69.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.367 -0.833 . . . . 0.0 112.639 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -56.82 -51.27 69.65 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.18 0.992 . . . . 0.0 112.822 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -46.22 -55.69 6.78 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 111.516 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -33.14 74.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.138 1.375 . . . . 0.0 114.369 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -78.07 -24.95 47.47 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.73 -32.14 20.59 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.881 1.273 . . . . 0.0 112.318 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.404 ' CG1' ' H ' ' A' ' 33' ' ' THR . 12.9 p 157.3 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 130.552 3.541 . . . . 0.0 117.901 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.404 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 25.4 p -128.35 -42.02 1.52 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 129.338 3.055 . . . . 0.0 113.651 -169.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 43.8 t80 178.0 -81.87 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.402 2.281 . . . . 0.0 111.377 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.88 -35.05 72.36 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.17 -40.54 94.45 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.55 0.74 . . . . 0.0 112.983 174.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -73.14 -38.84 66.13 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 120.051 1.296 . . . . 0.0 109.807 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 tt -51.72 -48.4 63.62 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.826 0.85 . . . . 0.0 110.148 176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.43 -42.8 96.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.265 1.026 . . . . 0.0 112.757 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.57 -43.57 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.383 1.073 . . . . 0.0 112.374 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.46 -39.1 91.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.748 1.619 . . . . 0.0 111.912 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -31.03 72.04 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 172.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -55.65 22.43 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.333 0.653 . . . . 0.0 109.818 169.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -62.99 -174.57 0.07 Allowed 'General case' 0 CA--C 1.562 1.428 0 C-N-CA 125.733 1.613 . . . . 0.0 114.293 168.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 47.15 69.06 0.54 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.836 2.054 . . . . 0.0 115.971 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -63.32 155.92 27.23 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.864 1.266 . . . . 0.0 112.937 170.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 N--CA 1.488 1.449 0 C-N-CA 127.811 2.444 . . . . 0.0 113.938 -173.217 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 113.18 0.808 . . . . 0.01 113.18 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp 57.72 16.1 3.31 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 126.288 1.835 . . . . 0.0 115.358 -169.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.0 t -73.51 133.88 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 120.727 -1.233 . . . . 0.0 110.939 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -53.25 -39.62 63.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.401 1.081 . . . . 0.0 113.127 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -61.18 -40.64 94.66 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.075 0.95 . . . . 0.0 113.112 176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.44 -51.38 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.131 173.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -53.51 55.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.606 0.639 . . . . 0.0 111.194 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -49.96 70.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.691 1.132 . . . . 0.0 112.76 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ttm -57.33 -39.15 75.29 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -35.93 61.27 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.81 0.844 . . . . 0.0 112.039 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.2 mt -69.13 -42.81 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 119.962 -1.711 . . . . 0.0 110.992 176.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.61 -33.59 55.51 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.049 -1.032 . . . . 0.0 112.588 169.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.26 -36.59 80.44 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.117 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.48 -47.5 81.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.344 0.975 . . . . 0.0 112.788 169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -46.41 66.8 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.208 1.822 . . . . 0.0 113.906 172.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -54.55 -32.83 59.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.2 mt -86.95 -22.08 25.83 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 176.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 58.25 0.73 Allowed Glycine 0 CA--C 1.537 1.416 0 CA-C-N 121.53 1.968 . . . . 0.0 114.236 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mt -127.25 175.11 8.41 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.981 1.712 . . . . 0.0 112.358 -175.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -60.46 -157.91 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 127.568 2.347 . . . . 0.0 114.81 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.6 mt -115.19 -94.18 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 120.172 -1.58 . . . . 0.0 109.133 176.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.89 -30.61 69.14 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.662 1.185 . . . . 0.0 112.635 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.89 -50.54 48.73 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.931 171.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.46 -50.73 59.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.999 1.272 . . . . 0.0 113.346 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -53.56 -40.4 65.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.399 0.999 . . . . 0.0 113.497 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.83 -28.05 58.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 173.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.29 -58.57 3.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 119.043 0.838 . . . . 0.0 109.388 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -39.14 -59.61 0.99 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.754 1.622 . . . . 0.0 113.068 169.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -29.36 69.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.38 -36.71 24.12 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -73.92 0.09 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 126.354 1.862 . . . . 0.0 107.953 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.3 p -164.33 -78.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 117.195 2.294 . . . . 0.0 117.195 178.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 46.0 p -161.0 -58.26 0.05 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.475 2.71 . . . . 0.0 109.382 -168.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.443 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 6.7 t80 -179.72 -63.85 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 O-C-N 118.876 -2.39 . . . . 0.0 109.477 169.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.14 -32.09 72.64 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 113.221 -1.809 . . . . 0.0 111.765 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.19 -44.63 65.06 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.166 170.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -69.17 -43.78 73.53 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 123.105 2.684 . . . . 0.0 110.518 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tt -46.2 -44.94 16.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.201 0.909 . . . . 0.0 111.618 169.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.37 -46.48 90.01 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 171.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.12 -50.94 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 O-C-N 120.851 -1.156 . . . . 0.0 111.993 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.96 -56.02 26.07 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 128.334 2.654 . . . . 0.0 111.904 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -55.33 -25.26 33.61 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 173.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -78.2 -43.5 28.34 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 168.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -173.82 0.17 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 128.03 2.532 . . . . 0.0 113.93 169.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -53.67 122.91 10.83 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.039 -1.038 . . . . 0.0 112.456 169.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -111.51 176.73 4.91 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.512 1.925 . . . . 0.0 112.037 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.141 0 C-N-CA 124.757 1.223 . . . . 0.0 113.726 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.34 -0.362 . . . . 0.01 111.1 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.52 -50.46 73.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.092 0.957 . . . . 0.0 112.988 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -105.33 128.75 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.049 1.34 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -110.17 16.93 21.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.081 1.753 . . . . 0.0 112.541 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -54.68 -38.84 67.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.523 1.129 . . . . 0.0 113.161 171.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p -59.7 -46.37 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 117.889 0.313 . . . . 0.0 110.674 173.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -45.61 93.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.957 0.903 . . . . 0.0 111.45 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -42.82 90.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 112.952 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.0 mtt -63.1 -44.64 95.12 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 171.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.15 -31.33 68.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.094 -1.004 . . . . 0.0 112.616 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -63.38 -44.79 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.564 1.075 . . . . 0.0 111.419 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.34 73.13 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.288 -0.882 . . . . 0.0 112.698 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.97 -40.25 80.16 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.057 -1.027 . . . . 0.0 113.616 171.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -60.24 -39.82 88.05 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 112.061 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.314 1.046 . . . . 0.0 113.396 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -58.5 3.69 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 118.617 0.644 . . . . 0.0 110.758 169.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.52 -32.67 65.3 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.06 83.76 1.73 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.14 1.352 . . . . 0.0 114.093 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 58.7 mt -120.46 -158.28 0.74 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.943 1.297 . . . . 0.0 111.509 177.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 m -89.38 -147.28 0.17 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 124.125 0.97 . . . . 0.0 110.643 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 mt -113.38 -95.27 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 124.975 1.31 . . . . 0.0 110.313 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -46.46 88.34 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.34 1.056 . . . . 0.0 110.668 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.06 -37.9 72.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 168.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.83 80.01 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 121.761 2.073 . . . . 0.0 111.572 173.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -55.85 -47.46 77.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.779 0.718 . . . . 0.0 112.875 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.01 -23.9 63.21 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.95 -1.094 . . . . 0.0 113.666 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -74.28 -52.12 13.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 118.657 0.662 . . . . 0.0 109.673 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.95 -47.49 5.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.843 2.057 . . . . 0.0 115.173 171.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.07 -39.75 60.64 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -74.75 -2.88 28.45 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.7 -69.0 0.77 Allowed 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.558 ' CG2' ' H ' ' A' ' 33' ' ' THR . 5.8 p 178.6 -122.26 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-N 120.237 1.38 . . . . 0.0 107.614 -176.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.558 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 28.1 m -102.75 -74.08 0.64 Allowed 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 127.697 2.399 . . . . 0.0 114.571 168.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -163.47 -51.77 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.691 1 CA-C-N 126.084 4.038 . . . . 0.0 107.928 -169.555 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.74 -36.4 28.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 125.654 1.582 . . . . 0.0 113.821 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -52.03 66.93 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.826 0.45 . . . . 0.0 111.082 171.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -41.58 89.6 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.055 -1.028 . . . . 0.0 110.796 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.4 tt -47.42 -45.31 25.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.663 0.602 . . . . 0.0 110.998 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -68.39 -44.57 74.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.651 1.18 . . . . 0.0 113.974 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.62 -49.82 71.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.064 0.945 . . . . 0.0 111.417 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.1 -38.64 87.02 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.422 1.889 . . . . 0.0 111.74 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -55.85 -36.4 67.5 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.93 0.786 . . . . 0.0 112.436 170.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.82 -25.76 59.24 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -151.31 84.75 1.32 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.415 1.486 . . . . 0.0 112.43 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.02 0.49 25.68 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.318 1.047 . . . . 0.0 113.321 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.87 151.68 41.78 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.815 1.246 . . . . 0.0 113.314 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.248 1.021 0 C-N-CA 127.615 2.366 . . . . 0.0 110.702 -172.563 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.259 -0.274 . . . . 0.01 110.259 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp 60.62 -71.06 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.558 2.743 . . . . 0.0 113.366 -169.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.61 169.99 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 127.153 2.181 . . . . 0.0 110.309 173.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -154.87 84.33 1.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.658 -0.651 . . . . 0.0 111.819 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.93 -37.12 68.53 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.59 -51.89 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.017 0.527 . . . . 0.0 110.769 173.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -57.76 -46.67 84.19 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.308 0.504 . . . . 0.0 111.072 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.15 -39.57 93.16 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.815 1.246 . . . . 0.0 113.768 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.54 -52.91 40.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.613 -0.679 . . . . 0.0 112.074 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.69 -42.02 74.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.213 0.605 . . . . 0.0 111.956 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 44.7 mt -59.85 -45.78 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.697 1.199 . . . . 0.0 112.361 174.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.67 70.78 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.911 -1.118 . . . . 0.0 112.261 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -44.0 95.34 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.928 1.291 . . . . 0.0 113.348 170.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -40.31 93.56 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.211 1.369 . . . . 0.0 112.496 172.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -26.14 64.6 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 172.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -74.23 -50.75 17.75 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.188 0.903 . . . . 0.0 111.731 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mp -54.61 -21.79 11.52 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 116.083 1.882 . . . . 0.0 116.083 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.05 45.96 2.13 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-N 119.577 1.08 . . . . 0.0 114.205 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.6 -166.09 1.25 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.471 1.508 . . . . 0.0 112.125 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -79.66 -151.23 0.06 Allowed 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 124.625 1.17 . . . . 0.0 111.483 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.2 tt -108.66 -83.67 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 120.749 -1.219 . . . . 0.0 113.337 172.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -76.71 -47.73 21.01 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.85 0.75 . . . . 0.0 110.597 -173.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -52.16 -41.37 62.53 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.493 1.117 . . . . 0.0 112.062 169.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.87 75.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.835 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -60.94 -40.15 92.19 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.47 -54.56 13.68 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 121.089 -1.007 . . . . 0.0 109.563 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.58 -37.64 63.14 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.85 1.66 . . . . 0.0 114.498 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -64.29 0.86 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 110.371 170.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.95 -33.01 71.35 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -36.06 62.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.971 -171.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.96 -48.43 16.28 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.916 1.689 . . . . 0.0 112.992 169.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.423 HG22 ' H ' ' A' ' 33' ' ' THR . 4.4 p -175.67 -137.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -168.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.423 ' H ' HG22 ' A' ' 32' ' ' VAL . 17.7 p -108.59 -69.94 0.83 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 129.717 3.207 . . . . 0.0 113.641 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -164.77 -55.86 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 O-C-N 117.856 -3.028 . . . . 0.0 107.718 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.18 -34.56 25.94 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -49.92 74.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.229 0.612 . . . . 0.0 112.187 171.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -69.94 -39.75 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.091 1.314 . . . . 0.0 109.888 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -49.97 -45.83 51.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -64.57 -47.31 79.18 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.041 0.937 . . . . 0.0 112.997 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.2 mt -62.91 -54.54 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 119.033 0.833 . . . . 0.0 111.569 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.9 -44.22 94.39 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.292 2.237 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.8 -39.5 85.2 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.38 0.672 . . . . 0.0 112.098 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -76.47 -26.1 55.0 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -169.43 140.27 2.25 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.555 1.942 . . . . 0.0 112.865 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -133.15 136.78 45.95 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.359 -1.463 . . . . 0.0 110.948 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -67.25 177.31 1.88 Allowed 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 170.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 C-N-CA 126.039 1.736 . . . . 0.0 110.622 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 119.298 -0.382 . . . . 0.01 111.979 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 29.9 mt -46.28 140.35 4.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.994 1.318 . . . . 0.0 113.205 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.62 144.33 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.711 1.205 . . . . 0.0 113.086 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.64 -23.78 29.36 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.83 -36.65 85.04 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.829 0.851 . . . . 0.0 113.038 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p -61.85 -39.99 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 O-C-N 121.911 -0.493 . . . . 0.0 111.316 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -60.08 -49.14 78.84 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.85 -0.595 . . . . 0.0 110.878 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -39.31 72.82 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.844 1.202 . . . . 0.0 114.188 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -49.85 60.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -29.96 70.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.073 0.949 . . . . 0.0 112.456 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.67 -36.46 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 125.198 1.399 . . . . 0.0 111.804 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.21 86.2 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.73 -1.231 . . . . 0.0 111.692 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -38.67 60.3 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.839 0.856 . . . . 0.0 111.835 169.296 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.8 mt -63.74 -44.64 92.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.892 -1.13 . . . . 0.0 112.979 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -57.04 -19.66 20.07 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.718 1.207 . . . . 0.0 113.227 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -78.04 -32.29 50.88 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.5 -44.78 27.62 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.918 1.69 . . . . 0.0 111.166 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.52 99.88 2.39 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.167 1.365 . . . . 0.0 113.442 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -136.02 -159.64 0.98 Allowed 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 126.623 1.969 . . . . 0.0 113.357 178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -93.03 -138.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 128.239 2.616 . . . . 0.0 112.693 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mt -120.03 -97.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.78 1.632 . . . . 0.0 108.724 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.06 -17.09 64.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.268 -1.52 . . . . 0.0 113.543 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -81.25 -38.9 26.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.438 170.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.28 87.01 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.997 1.726 . . . . 0.0 113.589 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -69.13 -49.73 54.38 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.514 0.597 . . . . 0.0 110.855 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.47 -21.91 66.81 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.889 -1.132 . . . . 0.0 113.231 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.39 -46.1 18.23 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.797 1.18 . . . . 0.0 110.297 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -49.82 23.79 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.399 1.48 . . . . 0.0 114.284 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.48 -47.97 62.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.12 -1.46 7.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.27 -66.27 0.92 Allowed 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 170.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 33' ' ' THR . 4.6 p -170.26 -102.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 CA-C-N 120.904 1.684 . . . . 0.0 109.218 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.417 ' N ' ' CG1' ' A' ' 32' ' ' VAL . 10.2 p -133.43 -50.49 0.86 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.323 2.649 . . . . 0.0 115.39 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -175.99 -78.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.032 -2.293 . . . . 0.0 109.461 -172.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.31 -32.18 72.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.558 -1.339 . . . . 0.0 113.539 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.84 -46.49 87.65 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 119.149 -0.453 . . . . 0.0 111.885 176.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.45 -35.76 65.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.802 1.183 . . . . 0.0 110.97 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.07 -45.31 68.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.54 0.609 . . . . 0.0 110.544 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -48.42 71.66 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.022 0.828 . . . . 0.0 111.567 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.11 -50.79 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.188 0.995 . . . . 0.0 112.406 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.74 -32.76 70.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.794 1.638 . . . . 0.0 113.511 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -71.96 -37.42 69.95 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.492 -0.755 . . . . 0.0 111.453 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -56.95 14.44 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 169.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 tttt 79.57 -63.02 0.26 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.617 1.967 . . . . 0.0 109.855 170.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 39.17 31.06 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.978 2.511 . . . . 0.0 115.482 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -152.96 132.66 13.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.096 1.758 . . . . 0.0 109.477 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.881 1.673 . . . . 0.0 111.651 -177.176 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 110.351 -0.24 . . . . 0.01 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.34 -57.88 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.344 1.458 . . . . 0.0 113.934 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p -129.4 2.51 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 126.002 1.721 . . . . 0.0 112.782 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -73.96 16.45 0.23 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 128.035 2.534 . . . . 0.0 114.053 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -50.8 -45.29 59.25 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 120.855 1.661 . . . . 0.0 113.779 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.72 -50.96 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.137 0.975 . . . . 0.0 110.572 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -58.41 -46.41 86.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.125 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -43.62 96.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.473 1.488 . . . . 0.0 111.78 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -61.36 2.59 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.536 0.735 . . . . 0.0 112.882 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.85 -36.23 26.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.071 0.948 . . . . 0.0 112.601 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.5 mt -72.18 -43.52 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.174 1.389 . . . . 0.0 111.365 175.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.41 68.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 119.235 -2.166 . . . . 0.0 112.2 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -59.35 -36.92 76.6 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 121.377 -0.827 . . . . 0.0 112.612 169.456 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mp -65.03 -38.24 90.23 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 168.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.0 ttm -62.69 -37.36 86.15 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.231 -0.918 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -56.83 15.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.838 0.855 . . . . 0.0 112.281 172.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 68.4 mt -58.76 -21.08 54.77 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.38 87.8 1.18 Allowed Glycine 0 C--N 1.34 0.78 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 51.5 mt -137.81 -179.05 5.53 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.44 0.696 . . . . 0.0 111.519 -175.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -58.94 -157.35 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.584 1.954 . . . . 0.0 114.509 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.459 ' CG2' ' H ' ' A' ' 22' ' ' GLU . 10.0 tt -116.77 -97.55 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.459 ' H ' ' CG2' ' A' ' 21' ' ' ILE . 6.2 tt0 -67.12 -27.01 66.97 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.203 1.801 . . . . 0.0 113.759 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -73.71 -40.98 63.2 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.344 173.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.34 -50.64 69.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.412 1.005 . . . . 0.0 111.237 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.8 p -54.26 -45.66 72.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.96 0.886 . . . . 0.0 112.273 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -38.62 87.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.63 0.772 . . . . 0.0 112.803 175.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -68.1 -50.86 52.24 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 119.957 1.253 . . . . 0.0 111.671 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -44.4 -47.49 9.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.652 1.181 . . . . 0.0 113.937 172.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.25 -32.62 63.03 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.1 -25.25 47.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.57 -76.9 0.18 Allowed 'General case' 0 C--O 1.231 0.122 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.606 ' CG1' ' H ' ' A' ' 33' ' ' THR . 7.5 p -157.08 -95.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.606 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 41.7 m -149.05 -39.08 0.16 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.096 2.558 . . . . 0.0 112.318 -169.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 51.8 t80 171.05 -87.71 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.949 2.499 . . . . 0.0 113.57 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.74 -39.27 76.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 120.164 1.347 . . . . 0.0 113.47 -173.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 mtt-85 -56.43 -47.97 77.97 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.093 171.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.94 -36.76 72.75 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.075 1.761 . . . . 0.0 110.618 178.082 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tt -55.21 -52.51 63.11 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.841 1.2 . . . . 0.0 110.54 177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.5 -42.39 78.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.036 1.334 . . . . 0.0 113.158 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.94 -43.44 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.638 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -46.37 65.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.148 1.779 . . . . 0.0 112.168 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -56.98 -45.77 82.69 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.46 1.104 . . . . 0.0 111.964 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 t -59.33 -49.67 76.91 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.407 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -64.93 -176.9 0.3 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 126.266 1.826 . . . . 0.0 114.885 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -96.95 174.19 6.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.754 2.021 . . . . 0.0 112.186 170.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt 51.19 35.51 13.53 Favored 'General case' 0 CA--C 1.554 1.135 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 127.422 2.289 . . . . 0.0 114.152 171.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.466 0.174 . . . . 0.01 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mp -133.98 103.18 5.7 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.638 1.575 . . . . 0.0 110.718 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 m -146.3 146.5 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.661 1.984 . . . . 0.0 109.957 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -56.59 -18.47 11.99 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -54.13 -35.65 62.44 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.717 1.607 . . . . 0.0 114.102 171.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.15 -41.39 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 118.391 0.542 . . . . 0.0 111.769 175.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -63.45 -47.05 83.47 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.816 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.51 -44.2 68.92 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.891 1.223 . . . . 0.0 113.449 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.9 mtt -58.91 -47.49 84.8 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -35.49 80.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 175.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.86 -44.81 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 125.35 1.46 . . . . 0.0 111.127 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.24 79.86 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.909 -1.12 . . . . 0.0 112.5 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.28 -46.7 79.6 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.627 169.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mp -53.21 -42.64 66.51 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.663 1.574 . . . . 0.0 114.781 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.2 ttt -55.55 -35.27 65.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -55.56 -47.76 75.87 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' H ' ' CD1' ' A' ' 17' ' ' LEU . 3.7 mp -69.32 -32.3 71.32 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.56 73.34 0.88 Allowed Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.276 0.944 . . . . 0.0 113.004 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.5 mt -128.28 175.32 8.56 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.97 1.708 . . . . 0.0 111.322 -177.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -58.15 -161.2 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 126.352 1.861 . . . . 0.0 113.802 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.445 ' CG2' ' H ' ' A' ' 22' ' ' GLU . 10.2 tt -107.73 -102.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 120.182 -1.574 . . . . 0.0 109.49 172.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.445 ' H ' ' CG2' ' A' ' 21' ' ' ILE . 43.9 mt-10 -54.63 -43.62 72.46 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.179 1.792 . . . . 0.0 112.382 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.57 -48.79 77.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.379 -0.826 . . . . 0.0 113.203 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.18 -41.3 49.15 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.222 -0.894 . . . . 0.0 112.054 172.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.4 p -62.85 -51.96 64.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.883 0.765 . . . . 0.0 112.149 177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.95 -54.01 51.15 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.283 -0.886 . . . . 0.0 112.011 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -47.58 -55.9 8.29 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.301 1.44 . . . . 0.0 112.604 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -39.36 -53.44 1.98 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.554 1.142 . . . . 0.0 112.024 175.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.98 -37.99 69.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.787 1.235 . . . . 0.0 114.112 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.04 60.71 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.916 1.687 . . . . 0.0 115.526 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -65.75 0.63 Allowed 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 112.794 -2.003 . . . . 0.0 107.184 168.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.544 ' CG2' ' H ' ' A' ' 33' ' ' THR . 11.5 p 176.72 -132.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.536 3.83 1 O-C-N 129.34 4.15 . . . . 0.0 118.046 -169.714 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.544 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 27.9 m -106.52 -53.53 2.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.733 2.013 . . . . 0.0 114.312 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 55.5 t80 -177.53 -56.81 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 125.911 3.96 . . . . 0.0 109.645 -174.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -35.61 36.78 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 126.2 1.8 . . . . 0.0 112.756 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -64.95 -54.28 33.13 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.64 170.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -47.56 84.07 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.329 1.422 . . . . 0.0 109.241 -177.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 tp -45.82 -44.24 13.99 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.6 0.563 . . . . 0.0 111.872 175.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -41.2 80.43 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.75 -49.83 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 124.649 1.18 . . . . 0.0 110.813 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.34 -45.87 87.3 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.499 2.32 . . . . 0.0 111.414 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -53.92 -33.43 56.64 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -47.8 53.94 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.931 0.492 . . . . 0.0 112.173 170.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.95 102.65 4.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.219 1.808 . . . . 0.0 113.278 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.34 119.62 23.3 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.088 0.955 . . . . 0.0 110.654 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.27 97.36 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.682 1.993 . . . . 0.0 114.397 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.142 0 C-N-CA 125.634 1.574 . . . . 0.0 111.225 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 112.206 0.447 . . . . 0.01 112.206 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.95 114.14 2.67 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.863 -1.148 . . . . 0.0 111.461 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.98 124.2 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.738 1.215 . . . . 0.0 110.311 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -56.32 -29.8 61.74 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -39.05 76.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.459 1.504 . . . . 0.0 113.988 172.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.03 -49.96 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.663 170.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -50.75 64.54 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.271 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.2 -48.09 77.08 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.897 1.226 . . . . 0.0 113.565 177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.1 mtt -59.34 -47.04 86.91 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.808 1.185 . . . . 0.0 114.113 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -35.57 80.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.254 1.022 . . . . 0.0 112.162 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.81 -43.65 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 125.82 1.648 . . . . 0.0 111.512 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.17 81.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.271 -1.518 . . . . 0.0 111.894 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -40.56 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.099 0.96 . . . . 0.0 112.122 169.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.76 -45.65 89.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.6 tpt -56.42 -34.69 67.02 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -34.53 72.32 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mp -78.68 -31.86 46.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 171.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.84 97.11 2.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.278 0.942 . . . . 0.0 111.093 -174.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.45 178.07 8.55 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.132 1.773 . . . . 0.0 111.656 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -63.38 -173.42 0.06 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.225 1.81 . . . . 0.0 114.312 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 16.7 tt -83.64 -116.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 125.148 1.379 . . . . 0.0 111.091 167.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -49.87 -42.48 47.79 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.555 1.942 . . . . 0.0 114.028 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.51 -41.74 99.04 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.321 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.58 87.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.201 170.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -63.65 -52.14 62.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.933 1.242 . . . . 0.0 111.634 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.14 -40.85 86.78 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.26 -0.9 . . . . 0.0 112.794 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -63.5 -46.52 85.72 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.797 1.239 . . . . 0.0 112.229 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -55.24 9.98 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.81 -44.59 80.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.03 -27.04 67.81 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -79.97 -66.4 0.88 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG2' ' H ' ' A' ' 33' ' ' THR . 12.2 p -167.42 -123.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.462 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 26.8 p -123.06 -35.07 3.06 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 127.419 2.288 . . . . 0.0 116.316 -174.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.3 t80 172.71 -78.99 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 128.066 2.546 . . . . 0.0 109.472 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.88 -38.04 81.09 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.56 -49.37 73.69 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 174.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -68.88 -40.41 79.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.118 -0.988 . . . . 0.0 110.016 -174.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.0 tt -47.71 -57.37 5.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.594 1.158 . . . . 0.0 110.078 171.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.93 -38.51 62.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.455 1.102 . . . . 0.0 112.393 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.36 -36.66 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 125.428 1.491 . . . . 0.0 113.486 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.13 -45.24 61.35 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.422 1.489 . . . . 0.0 111.3 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -33.5 70.64 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.759 1.624 . . . . 0.0 112.768 169.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -62.02 -47.69 83.65 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.037 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.4 tttt 65.76 92.15 0.08 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.916 2.087 . . . . 0.0 113.463 170.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.0 20.27 1.12 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.806 1.409 . . . . 0.0 114.806 -171.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.8 156.04 0.09 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 126.552 1.941 . . . . 0.0 112.804 -172.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.482 1.17 0 C-N-CA 125.69 1.596 . . . . 0.0 111.649 -174.442 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 119.49 -0.29 . . . . 0.01 110.799 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.36 87.85 0.86 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.405 1.082 . . . . 0.0 111.818 172.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.4 t -133.3 128.39 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.258 1.423 . . . . 0.0 109.675 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 48.75 30.61 2.68 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.693 1.597 . . . . 0.0 113.776 -174.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -39.11 83.85 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.376 1.07 . . . . 0.0 113.054 -172.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.2 -47.61 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.389 1.076 . . . . 0.0 111.46 171.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.94 -51.97 67.03 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 117.892 -1.052 . . . . 0.0 111.945 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -52.4 40.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.612 1.551 . . . . 0.0 112.927 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.2 ttm -59.94 -39.52 85.79 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.505 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -37.03 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.572 -1.204 . . . . 0.0 113.162 172.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.0 mt -66.92 -41.31 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 122.524 2.42 . . . . 0.0 111.236 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.4 50.27 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.508 -0.745 . . . . 0.0 112.202 169.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 7.0 mtt-85 -61.61 -36.41 80.66 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 169.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -63.0 -49.8 73.24 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 120.367 -1.458 . . . . 0.0 113.237 169.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -44.19 37.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.597 1.09 . . . . 0.0 113.649 171.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -55.15 -42.41 73.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.2 mt -74.51 -20.31 60.03 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 172.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.88 66.04 0.8 Allowed Glycine 0 N--CA 1.475 1.243 0 CA-C-N 122.144 2.247 . . . . 0.0 110.704 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 29.8 mt -137.42 178.59 6.98 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 125.71 1.604 . . . . 0.0 111.298 -169.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -63.44 -159.99 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 127.154 2.182 . . . . 0.0 112.951 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -123.55 -83.86 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.911 -1.743 . . . . 0.0 111.218 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.58 -32.3 64.05 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.544 0.738 . . . . 0.0 111.619 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.18 -45.83 58.77 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.504 173.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.44 -46.56 80.24 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 120.568 1.531 . . . . 0.0 113.034 169.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 48.4 m -49.94 -42.93 49.56 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.112 1.324 . . . . 0.0 113.802 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 -31.67 62.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.341 173.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -67.76 -60.67 2.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 119.865 1.212 . . . . 0.0 109.453 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -36.54 -62.27 0.47 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.185 1.794 . . . . 0.0 115.108 169.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.75 -30.96 70.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -79.49 -47.75 15.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.747 0.784 . . . . 0.0 112.14 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -69.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 127.094 2.158 . . . . 0.0 109.002 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 p -173.73 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 175.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 81.7 p -165.5 -58.06 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 128.407 2.683 . . . . 0.0 110.492 -168.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 16.2 t80 178.15 -55.28 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 123.696 2.953 . . . . 0.0 110.615 169.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.62 -39.3 93.47 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.833 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.22 -46.3 64.81 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.776 175.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.11 -43.86 81.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 122.118 2.235 . . . . 0.0 111.488 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.4 tt -44.26 -43.04 7.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.099 0.409 . . . . 0.0 110.746 171.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.66 92.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.99 -46.27 35.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 120.796 1.635 . . . . 0.0 112.546 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.5 -57.56 10.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.029 1.732 . . . . 0.0 110.897 171.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -58.3 -18.81 29.84 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.568 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -38.23 21.81 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 167.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . 0.287 3.8 tttp 63.83 101.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.012 2.925 . . . . 0.0 115.85 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -139.24 -55.82 0.59 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.292 1.437 . . . . 0.0 114.145 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -68.72 125.17 25.73 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.339 0.972 . . . . 0.0 111.008 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--O 1.25 1.109 0 C-N-CA 127.2 2.2 . . . . 0.0 110.663 -178.176 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 119.016 -0.516 . . . . 0.01 111.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.53 -56.28 4.76 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.379 0.99 . . . . 0.0 113.141 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 t -68.4 135.43 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.22 12.9 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.571 1.948 . . . . 0.0 115.414 169.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -50.34 -39.85 47.39 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 127.016 2.126 . . . . 0.0 114.349 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -60.83 -52.25 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.735 0.814 . . . . 0.0 111.037 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.5 -46.19 91.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.382 0.673 . . . . 0.0 110.779 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.93 -45.73 86.1 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.081 1.752 . . . . 0.0 112.391 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 28.0 ttm -58.38 -46.28 86.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -68.51 -43.05 77.64 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.288 -0.882 . . . . 0.0 111.304 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.27 -39.0 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.814 1.245 . . . . 0.0 112.334 170.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.11 -31.57 70.37 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.652 -1.28 . . . . 0.0 112.978 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.4 -30.85 71.51 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.004 -1.06 . . . . 0.0 112.958 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.4 mt -68.63 -47.62 66.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.942 1.297 . . . . 0.0 111.604 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -45.94 64.95 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.737 -1.574 . . . . 0.0 110.091 173.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 m -62.71 -16.95 59.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.24 -35.88 11.11 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.975 1.261 . . . . 0.0 111.813 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.56 97.28 2.42 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.89 1.71 . . . . 0.0 110.81 -172.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 60.2 mt -143.71 178.84 7.53 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 125.658 1.583 . . . . 0.0 112.173 173.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 m -73.16 -153.76 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 126.887 2.075 . . . . 0.0 114.016 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . 0.29 13.9 tt -103.41 -101.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 116.728 -1.605 . . . . 0.0 113.232 174.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -66.67 -45.93 77.33 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.035 2.652 . . . . 0.0 108.996 -175.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -50.39 -38.1 40.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 167.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -34.59 77.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 117.503 -1.679 . . . . 0.0 112.995 169.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 p -68.58 -58.96 3.51 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.62 -20.11 12.7 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 169.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -83.33 -31.18 26.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.473 0.578 . . . . 0.0 111.493 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -53.07 32.0 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 120.665 -1.272 . . . . 0.0 111.34 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.17 -48.95 71.69 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.433 0.693 . . . . 0.0 111.976 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -57.23 -40.35 77.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 118.906 -1.118 . . . . 0.0 111.506 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.5 -51.07 60.65 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 116.155 -1.878 . . . . 0.0 113.158 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.554 ' CG1' ' H ' ' A' ' 33' ' ' THR . 4.3 p 179.95 -102.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.845 0 CA-C-N 124.26 3.209 . . . . 0.0 108.151 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.554 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 85.6 m -148.33 -72.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.262 3.025 . . . . 0.0 109.272 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -151.68 -64.44 0.18 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.25 -35.57 81.43 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.84 0.745 . . . . 0.0 111.84 -171.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.1 mtt180 -60.22 -60.36 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 169.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.47 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -60.43 -32.26 71.19 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.508 1.504 . . . . 0.0 111.226 -178.069 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.83 -51.18 70.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.637 170.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.46 -54.76 41.68 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.491 1.041 . . . . 0.0 112.289 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.2 mt -54.54 -56.25 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.481 1.112 . . . . 0.0 111.588 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.201 1.8 . . . . 0.0 113.359 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -35.06 70.65 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.299 -0.876 . . . . 0.0 111.869 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 t -69.53 -48.13 61.46 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.346 -0.846 . . . . 0.0 112.504 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -169.85 -171.27 1.15 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.041 2.137 . . . . 0.0 111.048 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 71.1 139.69 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.943 1.697 . . . . 0.0 112.873 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.2 160.01 0.05 Allowed 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.707 1.203 . . . . 0.0 112.991 -170.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.485 1.284 0 O-C-N 120.484 -1.385 . . . . 0.0 113.401 -177.792 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 110.642 -0.132 . . . . 0.01 110.642 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.19 130.5 55.49 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.194 0.998 . . . . 0.0 111.162 173.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -147.53 165.27 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.88 1.672 . . . . 0.0 111.897 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.53 -22.8 0.28 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.608 1.563 . . . . 0.0 114.368 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -61.46 -35.81 78.65 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 121.507 -0.746 . . . . 0.0 112.881 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.69 -42.99 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.112 0.565 . . . . 0.0 111.136 173.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -62.04 -50.33 72.42 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.187 0.995 . . . . 0.0 110.331 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.38 -50.71 68.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.626 1.17 . . . . 0.0 113.437 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.8 mmt -57.83 -40.95 81.27 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.121 0.962 . . . . 0.0 113.022 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -39.47 90.95 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.019 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.7 mm -65.81 -41.11 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.528 1.513 . . . . 0.0 110.928 174.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.43 -37.15 64.81 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.055 -1.028 . . . . 0.0 112.8 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -61.72 -38.28 87.32 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -61.51 -43.96 97.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.536 1.062 . . . . 0.0 113.612 171.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtt -59.12 -37.57 77.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.464 1.029 . . . . 0.0 113.278 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -41.16 91.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.4 mt -75.82 -29.0 58.5 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.47 92.79 2.06 Favored Glycine 0 N--CA 1.47 0.901 0 C-N-CA 124.804 1.193 . . . . 0.0 111.319 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 71.9 mt -146.51 178.08 8.56 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 126.384 1.873 . . . . 0.0 110.608 -179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -66.68 -163.43 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.498 1.519 . . . . 0.0 113.399 175.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.06 -95.71 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.644 -1.285 . . . . 0.0 110.142 170.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.67 -41.66 86.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.414 1.461 . . . . 0.0 114.906 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.7 -42.01 99.42 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.867 0.467 . . . . 0.0 111.514 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.05 84.42 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.732 -1.128 . . . . 0.0 112.306 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -51.92 -57.95 7.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.71 1.595 . . . . 0.0 112.089 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.9 -49.78 58.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.663 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.17 -49.99 74.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.616 1.098 . . . . 0.0 113.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -48.92 -58.59 4.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.404 1.481 . . . . 0.0 111.874 175.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.12 -38.59 91.61 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.79 -26.08 62.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.794 1.238 . . . . 0.0 114.038 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.54 -52.31 7.36 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.362 1.065 . . . . 0.0 109.443 170.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 HG23 ' H ' ' A' ' 33' ' ' THR . 14.5 p 176.31 -121.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 127.862 2.465 . . . . 0.0 117.184 -171.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.433 ' H ' HG23 ' A' ' 32' ' ' VAL . 89.5 m -131.42 -34.33 1.4 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.642 2.777 . . . . 0.0 112.545 -171.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.414 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 56.5 t80 170.03 -84.63 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.905 2.082 . . . . 0.0 112.778 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -58.53 -35.95 73.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.362 0.983 . . . . 0.0 113.351 -171.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.44 -53.35 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.877 0.871 . . . . 0.0 111.953 170.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -65.44 -40.09 92.84 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.945 1.248 . . . . 0.0 111.018 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 tt -52.94 -48.16 67.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.087 0.955 . . . . 0.0 110.479 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.8 -42.67 89.63 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.41 -39.12 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 124.126 0.97 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.75 -44.03 71.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.43 1.892 . . . . 0.0 111.479 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -57.56 -36.46 71.68 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.796 -1.19 . . . . 0.0 112.098 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 m -61.77 -60.12 4.13 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.821 169.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -75.31 81.23 2.41 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 171.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.96 28.65 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 O-C-N 120.115 -1.616 . . . . 0.0 114.006 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -60.57 -32.83 71.9 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.223 1.809 . . . . 0.0 113.706 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--O 1.25 1.086 0 C-N-CA 126.838 2.055 . . . . 0.0 110.757 -178.665 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 109.653 -0.499 . . . . 0.01 109.653 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.75 176.97 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.161 1.384 . . . . 0.0 112.549 -167.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.267 9.1 p 47.52 25.25 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 126.283 1.833 . . . . 0.0 114.522 -175.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -62.19 -15.11 44.29 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.218 -1.551 . . . . 0.0 113.961 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -61.45 -36.67 81.04 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.749 1.62 . . . . 0.0 113.25 169.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -40.13 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 118.268 0.485 . . . . 0.0 111.173 170.523 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -60.82 -51.31 69.84 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.798 0.839 . . . . 0.0 110.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.65 -42.43 78.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.418 1.487 . . . . 0.0 113.432 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt -65.77 -44.88 84.5 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -37.08 82.32 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.2 -0.937 . . . . 0.0 113.081 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 mt -60.7 -45.71 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 119.625 1.102 . . . . 0.0 111.857 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.72 67.0 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.473 -0.767 . . . . 0.0 112.835 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.82 71.62 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 170.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 mt -68.93 -42.27 77.01 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.94 -1.1 . . . . 0.0 112.002 174.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -31.92 61.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -65.58 -51.29 60.89 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 169.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -40.15 74.8 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.659 1.118 . . . . 0.0 114.013 172.005 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.67 50.37 0.7 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.362 1.458 . . . . 0.0 114.514 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.4 mt -88.55 -148.43 0.17 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 121.745 2.772 . . . . 0.0 111.965 174.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -98.0 -123.7 0.14 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 126.923 2.089 . . . . 0.0 111.817 -174.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.02 -101.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.091 1.756 . . . . 0.0 112.659 170.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -36.21 78.86 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 123.416 2.825 . . . . 0.0 112.29 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.97 -36.76 77.81 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.304 169.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.74 -44.13 97.02 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.734 173.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -62.45 -48.13 80.99 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.113 0.869 . . . . 0.0 112.34 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -40.21 96.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.708 -1.245 . . . . 0.0 112.94 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -60.57 -48.78 80.26 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.384 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.984 1.714 . . . . 0.0 112.088 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.67 -40.61 84.44 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -60.52 -61.37 2.64 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 118.458 0.572 . . . . 0.0 109.46 169.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.38 -54.25 11.72 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.664 2.478 . . . . 0.0 107.721 -169.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.618 ' CG2' ' H ' ' A' ' 33' ' ' THR . 7.1 p 176.9 -137.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 127.247 2.219 . . . . 0.0 113.372 169.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.618 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 61.8 m -84.83 -54.68 4.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 127.771 2.429 . . . . 0.0 112.268 172.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 173.75 -46.81 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.845 0 O-C-N 116.935 -3.603 . . . . 0.0 107.811 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.28 -38.55 78.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 128.265 2.626 . . . . 0.0 115.482 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.9 ttp180 -71.64 -49.44 39.96 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.837 1.199 . . . . 0.0 110.765 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.462 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.59 -43.66 96.31 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.826 -1.171 . . . . 0.0 111.209 175.426 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.01 -39.84 28.44 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -42.44 74.55 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 176.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.37 -56.04 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 120.697 -1.252 . . . . 0.0 111.942 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.78 -43.63 90.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.538 1.935 . . . . 0.0 112.02 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -57.17 -32.42 66.41 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.509 0.724 . . . . 0.0 112.083 172.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -77.47 -36.48 52.76 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -169.67 0.59 Allowed 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.369 1.867 . . . . 0.0 111.771 168.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -145.9 142.98 29.27 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.491 -1.381 . . . . 0.0 111.468 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 97.79 2.6 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.136 0.974 . . . . 0.0 111.295 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 127.656 2.382 . . . . 0.0 113.182 -177.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.534 0.207 . . . . 0.01 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.12 96.63 2.76 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.025 1.73 . . . . 0.0 110.686 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t 62.65 148.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 127.316 2.246 . . . . 0.0 113.623 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.35 -45.05 49.6 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.099 -1.626 . . . . 0.0 113.182 177.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -57.98 -46.76 84.66 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 125.315 1.446 . . . . 0.0 113.832 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.82 -46.98 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.36 0.664 . . . . 0.0 110.906 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -54.9 -52.55 62.54 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.302 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.46 -44.63 80.73 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 120.16 1.345 . . . . 0.0 113.995 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.2 mtt -63.45 -43.88 96.09 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.86 -39.77 91.04 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.262 0.625 . . . . 0.0 112.024 173.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.9 mt -60.18 -40.98 85.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 125.021 1.328 . . . . 0.0 111.411 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.89 76.56 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.93 -1.106 . . . . 0.0 112.065 173.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -59.34 -44.58 92.62 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.631 1.173 . . . . 0.0 112.794 169.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.32 85.47 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.923 -1.111 . . . . 0.0 113.011 174.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.15 73.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.818 0.847 . . . . 0.0 112.163 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -62.1 -42.68 99.46 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mp -71.4 -4.87 28.71 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.15 83.04 0.72 Allowed Glycine 0 CA--C 1.539 1.556 0 CA-C-N 120.179 1.354 . . . . 0.0 113.644 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -145.49 170.82 15.65 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.313 1.845 . . . . 0.0 112.95 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -62.68 -171.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.165 1.786 . . . . 0.0 113.851 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.3 mp -94.48 -86.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.241 -1.537 . . . . 0.0 111.66 172.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.76 -35.66 65.02 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 119.487 1.04 . . . . 0.0 112.513 -172.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.38 -44.6 90.86 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.567 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.7 72.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.9 p -73.09 -35.38 66.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 121.431 1.923 . . . . 0.0 112.126 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.294 -0.879 . . . . 0.0 111.056 177.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -69.32 -39.58 78.15 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.665 1.586 . . . . 0.0 112.361 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -56.13 20.58 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.865 172.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.1 -49.93 72.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -61.96 -15.48 43.99 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.44 -63.19 1.32 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 169.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.425 ' CG2' ' H ' ' A' ' 33' ' ' THR . 11.6 p -172.98 -126.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.425 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 17.8 p -122.62 -30.17 3.93 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.051 2.141 . . . . 0.0 116.347 -169.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 85.8 t80 163.19 -80.37 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 129.62 3.168 . . . . 0.0 109.29 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.86 -34.2 77.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -46.54 85.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 173.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -71.09 -38.43 72.39 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.394 1.452 . . . . 0.0 109.124 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tt -51.73 -44.7 63.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.877 0.871 . . . . 0.0 111.041 172.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.72 -45.48 82.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.33 -48.12 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.77 1.228 . . . . 0.0 111.032 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.46 -36.44 76.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.426 1.89 . . . . 0.0 112.283 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -62.77 -34.71 77.81 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.259 1.391 . . . . 0.0 112.661 169.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -49.67 76.92 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 170.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 mttt 62.11 179.98 0.13 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.369 1.068 . . . . 0.0 111.499 -176.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 56.42 21.48 5.57 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.27 -53.83 0.47 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 128.825 2.85 . . . . 0.0 114.436 -169.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.139 0 C-N-CA 127.394 2.277 . . . . 0.0 110.297 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 119.571 -0.252 . . . . 0.01 111.573 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.285 4.8 tt 59.28 97.85 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.627 2.371 . . . . 0.0 114.768 -177.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.473 ' CG2' ' H ' ' A' ' 4' ' ' ASP . 9.3 p -163.55 -161.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 127.806 2.442 . . . . 0.0 110.251 -174.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.473 ' H ' ' CG2' ' A' ' 3' ' ' VAL . 14.2 t70 -50.58 -49.01 57.41 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.209 2.203 . . . . 0.0 114.853 176.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -38.02 83.95 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.5 t -71.05 -43.31 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.432 0.693 . . . . 0.0 110.668 176.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -54.84 -54.39 43.01 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.328 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.86 -50.0 69.74 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.597 1.544 . . . . 0.0 113.88 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.35 -43.01 99.82 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.21 -37.9 88.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.969 1.308 . . . . 0.0 111.266 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 58.4 mt -70.05 -43.71 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.793 1.637 . . . . 0.0 111.382 175.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.34 82.78 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 119.57 -1.956 . . . . 0.0 112.833 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -37.64 67.26 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.689 1.196 . . . . 0.0 112.247 169.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 mt -60.36 -42.91 96.74 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.7 mtp -59.95 -37.18 78.8 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.829 -0.544 . . . . 0.0 112.388 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 m -60.4 -37.76 81.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.32 -29.13 63.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 173.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.83 96.22 1.55 Allowed Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.0 mt -144.45 175.57 10.02 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.973 1.709 . . . . 0.0 113.422 173.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 m -64.59 -154.54 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 126.983 2.113 . . . . 0.0 113.428 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.2 mt -112.75 -100.59 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 119.981 -1.699 . . . . 0.0 108.987 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.12 70.78 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 120.333 1.424 . . . . 0.0 112.901 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.08 -46.55 50.92 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.511 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.33 63.09 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 171.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.0 p -68.25 -41.31 81.33 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.98 1.371 . . . . 0.0 110.576 -178.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -35.27 73.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.048 173.58 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -72.37 -52.31 16.62 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 120.812 1.642 . . . . 0.0 106.97 -175.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -38.63 -46.97 1.27 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 168.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -22.13 46.42 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.04 -38.85 17.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.153 0.981 . . . . 0.0 112.873 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -71.52 0.18 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 127.293 2.237 . . . . 0.0 107.014 174.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.4 p -164.3 -77.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.327 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 171.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 67.2 p -160.41 -51.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.079 2.152 . . . . 0.0 110.294 -167.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 78.5 t80 176.68 -70.35 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.918 2.487 . . . . 0.0 108.316 173.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.21 -39.44 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -172.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 ttt180 -68.13 -48.19 66.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.397 0.279 . . . . 0.0 111.198 177.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.36 -47.21 71.1 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 117.625 -1.178 . . . . 0.0 109.518 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.0 tt -42.19 -53.65 3.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.257 1.423 . . . . 0.0 110.891 172.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.23 -40.6 82.15 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.961 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.8 mt -73.03 -49.21 40.5 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 125.445 1.498 . . . . 0.0 111.928 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.71 -45.83 81.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.297 2.639 . . . . 0.0 112.563 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -57.06 -35.06 68.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.587 1.155 . . . . 0.0 112.974 168.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -60.38 -47.86 84.23 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.171 169.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -71.67 -171.92 0.73 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.57 1.948 . . . . 0.0 114.169 169.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.9 126.42 30.39 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.734 -1.229 . . . . 0.0 112.092 169.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -104.39 -175.71 2.87 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.65 1.98 . . . . 0.0 111.666 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 N--CA 1.483 1.196 0 C-N-CA 125.22 1.408 . . . . 0.0 114.493 174.031 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 113.502 0.927 . . . . 0.01 113.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.3 mt 61.11 76.04 0.39 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.966 1.706 . . . . 0.0 113.975 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.73 -6.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 175.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -105.47 -50.94 3.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.641 1.577 . . . . 0.0 112.334 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.69 -39.4 84.42 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.379 1.072 . . . . 0.0 113.19 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 p -62.52 -41.35 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.315 0.646 . . . . 0.0 111.16 171.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -61.9 -45.73 92.48 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 123.187 0.595 . . . . 0.0 109.634 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.21 -40.69 98.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.619 0.645 . . . . 0.0 111.888 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.79 -57.31 9.25 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.547 -1.346 . . . . 0.0 114.172 172.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -28.61 6.1 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 171.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.2 mt -72.68 -45.18 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.39 82.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.126 -1.608 . . . . 0.0 111.813 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.429 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -54.33 -44.42 72.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.76 1.224 . . . . 0.0 111.943 169.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.2 mt -58.69 -35.88 73.32 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 173.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -35.56 77.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.191 -0.913 . . . . 0.0 113.198 173.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -43.52 90.13 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 119.035 0.834 . . . . 0.0 112.123 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.0 mp -77.01 -3.88 41.29 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.062 1.345 . . . . 0.0 113.895 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.49 85.66 0.15 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.351 1.453 . . . . 0.0 112.02 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.1 mt -135.6 166.98 21.96 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 126.03 1.732 . . . . 0.0 109.237 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -64.47 -164.62 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.926 1.691 . . . . 0.0 113.97 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' CG2' ' H ' ' A' ' 22' ' ' GLU . 21.2 tt -87.08 -107.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 119.97 -1.706 . . . . 0.0 115.587 165.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.446 ' H ' ' CG2' ' A' ' 21' ' ' ILE . 5.0 pt-20 -47.13 -47.6 23.45 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 127.19 2.196 . . . . 0.0 112.796 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.16 -43.95 98.08 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 113.235 -1.802 . . . . 0.0 110.829 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.75 82.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.178 0.899 . . . . 0.0 112.081 168.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -62.68 -51.11 68.49 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.544 1.066 . . . . 0.0 112.371 -174.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.58 -40.81 96.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.633 -1.292 . . . . 0.0 111.487 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -60.38 -41.46 93.81 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.051 0.844 . . . . 0.0 112.576 175.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.61 -48.54 81.31 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.069 2.148 . . . . 0.0 112.944 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -43.47 53.53 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.696 1.199 . . . . 0.0 110.833 -174.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.15 -59.61 4.69 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.794 0.838 . . . . 0.0 109.636 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.67 -38.85 49.0 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 115.475 -2.203 . . . . 0.0 115.509 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.61 ' CG1' ' H ' ' A' ' 33' ' ' THR . 5.6 p 162.51 -95.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.61 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 89.9 m -158.97 -94.7 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 130.17 3.388 . . . . 0.0 105.881 -167.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.429 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 45.1 t80 -137.82 -64.1 0.55 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.311 -2.118 . . . . 0.0 114.858 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.78 -43.16 97.18 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 119.756 1.162 . . . . 0.0 111.81 -170.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.39 -48.67 55.88 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 171.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.59 -39.02 77.53 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 118.767 0.712 . . . . 0.0 110.341 178.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -60.01 -50.51 73.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.07 -179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.01 -50.15 73.61 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.991 1.268 . . . . 0.0 112.454 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.32 -48.89 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 O-C-N 123.783 0.677 . . . . 0.0 111.175 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.44 -32.31 66.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.537 1.935 . . . . 0.0 114.187 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 60.4 mttt -62.17 -47.97 82.14 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.077 1.308 . . . . 0.0 110.244 170.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.58 -38.89 60.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.45 0.7 . . . . 0.0 112.421 173.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -76.94 -32.88 57.65 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -159.06 105.73 1.76 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.912 2.085 . . . . 0.0 111.191 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -74.72 110.8 9.31 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 121.473 -0.767 . . . . 0.0 110.811 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 126.531 1.932 . . . . 0.0 111.59 -179.805 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 114.223 1.194 . . . . 0.01 114.223 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 mt 50.64 26.58 2.53 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 120.171 -1.581 . . . . 0.0 114.637 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.78 146.16 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.256 1.022 . . . . 0.0 112.678 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -129.1 -47.38 1.22 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.982 1.313 . . . . 0.0 112.859 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -65.23 -36.99 85.87 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.9 t -59.35 -47.5 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 122.992 0.517 . . . . 0.0 110.646 172.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -54.67 44.29 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.378 176.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.65 -31.36 66.23 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.5 mtt -75.24 -46.91 30.8 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.1 85.07 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.434 -0.791 . . . . 0.0 112.093 173.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.59 -46.76 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 124.833 1.253 . . . . 0.0 111.069 174.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.12 86.3 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.384 -1.447 . . . . 0.0 113.104 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -37.12 51.01 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 121.238 -0.914 . . . . 0.0 112.439 170.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -64.6 -42.77 95.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 174.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -59.93 -23.24 63.37 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 172.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -24.5 54.32 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 171.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 mt -85.1 -26.39 26.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.63 1.172 . . . . 0.0 113.772 171.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.7 72.02 0.94 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.122 0.867 . . . . 0.0 112.691 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 48.3 mt -119.77 -162.56 0.93 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.524 1.53 . . . . 0.0 111.382 176.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.434 ' H ' ' HB1' ' A' ' 24' ' ' ALA . 20.2 m -87.13 -110.99 0.06 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.715 2.006 . . . . 0.0 113.978 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.406 ' CG2' ' H ' ' A' ' 22' ' ' GLU . 13.1 tt -152.57 -100.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 C-N-CA 127.889 2.476 . . . . 0.0 113.199 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.406 ' H ' ' CG2' ' A' ' 21' ' ' ILE . 2.6 mt-10 -65.12 -48.56 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.697 -1.877 . . . . 0.0 111.718 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -39.52 72.2 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.909 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.434 ' HB1' ' H ' ' A' ' 20' ' ' SER . . . -62.64 -40.51 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 171.231 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 95.7 m -59.85 -52.1 66.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 111.842 178.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.56 -35.18 78.66 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.971 -1.081 . . . . 0.0 113.529 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -65.3 -46.7 79.33 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.031 0.532 . . . . 0.0 112.019 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -47.83 65.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.497 2.319 . . . . 0.0 113.824 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.84 -39.76 50.11 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 -178.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.68 -56.21 23.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.642 0.377 . . . . 0.0 110.432 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.74 -56.53 14.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 117.193 -1.384 . . . . 0.0 114.623 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.584 ' CG1' ' H ' ' A' ' 33' ' ' THR . 7.4 p 177.62 -107.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 124.998 1.319 . . . . 0.0 112.953 -171.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.584 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 24.5 m -143.9 -97.95 0.11 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 130.636 3.574 . . . . 0.0 105.121 -173.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.96 -66.12 0.76 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.53 -36.78 83.68 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.503 1.502 . . . . 0.0 114.024 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -53.37 59.08 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.619 -0.675 . . . . 0.0 112.69 173.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -36.13 83.31 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.447 1.021 . . . . 0.0 111.258 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tt -53.84 -41.08 67.03 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.243 0.929 . . . . 0.0 111.995 171.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.37 -46.8 53.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.755 0.707 . . . . 0.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.84 -47.99 89.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 124.153 0.981 . . . . 0.0 111.405 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.67 -27.93 61.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 113.068 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -68.14 -35.71 78.51 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.087 1.767 . . . . 0.0 111.485 169.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -68.85 -25.28 64.56 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 70.93 0.24 Allowed 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 119.721 1.146 . . . . 0.0 113.235 -176.54 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 174.84 6.69 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.139 1.376 . . . . 0.0 113.913 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -143.61 -48.96 0.3 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.986 1.314 . . . . 0.0 112.477 174.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.484 1.231 0 C-N-CA 126.917 2.087 . . . . 0.0 114.053 -176.265 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 118.665 -0.683 . . . . 0.01 110.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.87 85.56 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 171.281 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.2 t 55.72 31.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 125.644 1.578 . . . . 0.0 112.243 -171.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 47.71 92.62 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.148 2.179 . . . . 0.0 113.659 -169.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.25 -40.11 10.99 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.458 1.903 . . . . 0.0 114.084 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.5 t -58.14 -52.49 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.424 0.69 . . . . 0.0 111.372 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -55.88 -49.18 74.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.702 0.801 . . . . 0.0 110.527 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -42.91 95.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.151 1.381 . . . . 0.0 113.552 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 tpt -63.79 -48.04 78.51 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 112.621 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -38.1 84.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.966 0.906 . . . . 0.0 112.128 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mt -62.94 -40.12 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 120.81 -1.181 . . . . 0.0 111.307 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.14 72.79 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.973 -1.079 . . . . 0.0 111.98 174.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.12 -43.69 91.97 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.298 -0.876 . . . . 0.0 113.001 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.49 -37.94 82.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.591 1.087 . . . . 0.0 112.897 176.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.96 76.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.636 -0.665 . . . . 0.0 111.928 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -31.26 72.08 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.258 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -83.18 -0.61 50.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 172.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.7 83.03 0.51 Allowed Glycine 0 CA--C 1.534 1.262 0 CA-C-N 121.012 1.733 . . . . 0.0 112.864 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.9 mt -143.13 174.28 10.83 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.396 1.478 . . . . 0.0 112.645 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 m -64.76 -166.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.674 1.989 . . . . 0.0 113.183 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 6.2 mt -102.53 -80.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 119.72 -1.862 . . . . 0.0 111.596 175.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -39.05 49.5 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.243 0.929 . . . . 0.0 111.843 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.1 -44.03 97.98 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.273 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.7 79.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.867 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.3 p -60.42 -39.59 88.0 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.484 1.493 . . . . 0.0 114.432 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.33 -40.48 64.43 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.471 -0.768 . . . . 0.0 111.337 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.91 -44.56 96.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.656 1.183 . . . . 0.0 112.308 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -50.5 -61.34 2.24 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.488 1.115 . . . . 0.0 110.959 171.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -24.22 67.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.99 -20.77 25.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -84.35 -51.27 7.1 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.408 ' CG2' ' H ' ' A' ' 33' ' ' THR . 15.0 p 176.4 -121.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 127.734 2.414 . . . . 0.0 116.699 -172.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.408 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 32.0 m -129.06 -37.02 1.72 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 128.339 2.656 . . . . 0.0 113.287 -168.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.6 t80 166.82 -83.24 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.719 2.408 . . . . 0.0 111.171 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.87 -31.88 73.08 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.6 -51.0 67.18 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.702 174.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -66.08 -37.91 86.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.611 1.096 . . . . 0.0 110.128 179.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.32 -52.38 45.84 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.147 173.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.2 -42.5 91.06 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.97 -46.16 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.196 0.999 . . . . 0.0 111.936 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.13 -38.65 69.21 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.031 2.132 . . . . 0.0 112.691 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -61.06 -37.06 81.3 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.886 -1.134 . . . . 0.0 111.545 169.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -58.5 7.83 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 170.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -157.2 121.58 4.35 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.624 1.57 . . . . 0.0 112.334 169.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -78.26 -49.46 13.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.649 0.78 . . . . 0.0 112.67 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tttt 51.43 -157.16 0.12 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.194 1.397 . . . . 0.0 114.332 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.398 1.879 . . . . 0.0 112.881 177.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.092 -0.336 . . . . 0.01 110.092 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -42.01 94.98 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.616 0.644 . . . . 0.0 112.426 173.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -162.68 150.42 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.308 1.843 . . . . 0.0 110.123 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -115.75 -27.84 6.93 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.169 1.388 . . . . 0.0 113.441 172.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -63.32 -45.9 89.17 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.811 1.245 . . . . 0.0 113.734 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 t -56.46 -45.96 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.911 0.884 . . . . 0.0 110.481 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -58.85 -53.33 59.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.458 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -41.01 66.5 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.731 1.612 . . . . 0.0 114.307 175.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 ttt -69.48 -42.6 74.62 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -30.43 67.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.128 0.971 . . . . 0.0 112.783 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 50.9 mt -64.9 -39.94 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 124.562 1.145 . . . . 0.0 111.274 172.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.33 88.95 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.731 -1.231 . . . . 0.0 112.131 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -55.5 -34.41 64.58 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.7 1.2 . . . . 0.0 113.446 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.38 -43.66 89.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.653 1.181 . . . . 0.0 112.39 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 tpp -58.97 -25.35 63.51 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.653 0.781 . . . . 0.0 112.669 173.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.97 -10.98 59.99 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.2 mt -111.08 -3.85 15.31 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.67 1.588 . . . . 0.0 113.486 176.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.55 77.64 1.23 Allowed Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.024 0.821 . . . . 0.0 113.294 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -140.26 165.63 26.87 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.139 1.776 . . . . 0.0 113.955 -175.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -161.04 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.025 1.73 . . . . 0.0 112.568 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.77 -76.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 120.431 -1.418 . . . . 0.0 111.429 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.76 -44.13 17.43 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 118.776 0.716 . . . . 0.0 110.95 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.91 -45.84 89.36 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.38 69.31 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.821 170.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 97.9 m -55.26 -47.68 75.09 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.872 1.215 . . . . 0.0 112.98 176.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.85 -51.31 59.9 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.796 -0.565 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.58 -48.81 63.03 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -58.45 4.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.931 1.292 . . . . 0.0 111.058 174.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.08 89.36 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -11.32 59.8 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.51 -42.08 8.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.52 1.128 . . . . 0.0 110.512 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' ' H ' ' A' ' 33' ' ' THR . 11.9 p 162.18 -125.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 127.89 3.244 . . . . 0.0 117.784 -172.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.466 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 31.5 p -124.37 -40.01 2.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 128.353 2.661 . . . . 0.0 115.894 -169.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.1 t80 177.32 -69.73 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 123.68 2.946 . . . . 0.0 110.064 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -37.8 74.31 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.102 0.961 . . . . 0.0 112.67 -174.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -44.51 96.67 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 118.855 -0.593 . . . . 0.0 112.595 174.2 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.9 -38.95 73.03 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.154 1.343 . . . . 0.0 110.263 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.7 -44.59 48.25 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.928 0.785 . . . . 0.0 111.014 175.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.79 -42.13 91.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 112.488 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.33 -48.15 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.274 1.029 . . . . 0.0 112.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.11 -45.73 91.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.871 2.069 . . . . 0.0 112.541 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -36.89 74.47 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.167 0.587 . . . . 0.0 111.677 174.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -19.14 60.71 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -83.19 -58.22 2.94 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.527 1.131 . . . . 0.0 111.477 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -171.41 -51.29 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.622 1.969 . . . . 0.0 112.365 169.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt 49.17 89.84 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 127.084 2.154 . . . . 0.0 115.037 -172.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 N--CA 1.486 1.344 0 C-N-CA 125.27 1.428 . . . . 0.0 112.514 176.892 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 119.669 -0.205 . . . . 0.01 110.776 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 mt -133.3 32.62 3.66 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 126.606 1.962 . . . . 0.0 112.183 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.8 m -62.62 174.41 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 126.673 1.989 . . . . 0.0 113.428 175.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -41.76 56.96 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 176.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.82 -39.19 84.22 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.195 0.998 . . . . 0.0 113.478 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.5 t -63.74 -45.73 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.964 173.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -54.3 46.09 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.766 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.45 -43.52 71.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.195 1.362 . . . . 0.0 114.007 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -52.16 64.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.487 0.715 . . . . 0.0 112.819 174.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -36.86 78.99 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.095 0.958 . . . . 0.0 112.41 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.7 mt -64.12 -44.91 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.768 1.627 . . . . 0.0 111.327 173.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.14 -37.44 72.02 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.976 -1.077 . . . . 0.0 112.108 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.95 75.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.827 0.851 . . . . 0.0 112.779 171.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 16.2 mt -59.19 -43.97 92.21 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.176 -0.953 . . . . 0.0 112.417 173.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ttt -60.1 -28.24 67.67 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -60.96 -52.3 65.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.841 1.201 . . . . 0.0 111.884 169.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -58.29 -35.41 71.77 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 170.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.85 79.33 1.33 Allowed Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.76 1.171 . . . . 0.0 111.367 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 mt -134.24 169.62 16.93 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-N 120.232 2.016 . . . . 0.0 110.087 177.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -55.67 -159.29 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 126.086 1.754 . . . . 0.0 113.728 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.9 mt -108.8 -97.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.329 -2.107 . . . . 0.0 109.364 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.11 -28.6 67.47 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.665 1.586 . . . . 0.0 112.911 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -49.2 43.57 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.966 -1.47 . . . . 0.0 112.175 171.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.95 76.36 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 120.962 1.71 . . . . 0.0 113.374 168.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 90.1 m -48.18 -50.35 29.35 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.359 1.436 . . . . 0.0 113.492 177.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -73.86 -26.04 60.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -69.21 -61.4 1.81 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.495 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.83 -63.01 0.28 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.423 2.289 . . . . 0.0 113.92 169.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -34.23 77.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.96 -43.54 65.02 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.598 1.19 . . . . 0.0 113.595 169.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.288 0.6 OUTLIER -53.91 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 111.819 -2.446 . . . . 0.0 109.132 175.276 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.578 ' CG2' ' H ' ' A' ' 33' ' ' THR . 6.7 p 173.9 -132.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 C-N-CA 127.873 2.469 . . . . 0.0 108.355 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.578 ' H ' ' CG2' ' A' ' 32' ' ' VAL . 41.0 p -92.32 -57.75 2.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.523 2.729 . . . . 0.0 117.115 171.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 25.3 t80 179.96 -48.6 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.589 2 CA-C-N 127.178 4.535 . . . . 0.0 108.961 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.32 -35.94 61.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 126.336 1.854 . . . . 0.0 114.482 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.94 -49.13 60.72 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.675 -0.641 . . . . 0.0 110.998 174.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 0.2 OUTLIER -66.23 -43.37 86.83 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.578 -1.326 . . . . 0.0 110.154 178.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 tt -44.86 -43.12 8.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 124.034 0.833 . . . . 0.0 109.87 172.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.63 -38.96 77.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -73.35 -50.08 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 119.754 1.161 . . . . 0.0 111.772 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.07 -45.99 86.28 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.721 2.408 . . . . 0.0 111.752 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -56.51 -35.01 67.55 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 122.205 -0.309 . . . . 0.0 111.729 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -73.39 -41.2 63.64 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 169.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.53 99.56 2.54 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.046 1.738 . . . . 0.0 113.192 177.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -116.94 126.85 53.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.055 1.342 . . . . 0.0 111.263 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -152.84 -53.99 0.11 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.091 0.956 . . . . 0.0 113.309 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.746 1.619 . . . . 0.0 111.878 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.796 -0.075 . . . . 0.01 110.796 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.08 -32.19 0.09 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.365 1.466 . . . . 0.0 113.323 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.51 80.67 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 126.44 1.896 . . . . 0.0 112.105 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -162.14 -45.58 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.077 2.151 . . . . 0.0 111.529 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.93 -43.04 99.66 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.041 0.937 . . . . 0.0 113.179 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.33 -48.61 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.972 0.909 . . . . 0.0 110.945 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -55.43 -47.76 75.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.204 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -37.64 84.38 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.121 0.969 . . . . 0.0 113.091 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -54.48 13.11 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.325 1.05 . . . . 0.0 113.088 177.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.02 -45.21 67.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.841 -1.162 . . . . 0.0 112.448 170.673 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.7 mt -54.5 -41.24 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.942 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.55 -34.97 78.97 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.542 -1.349 . . . . 0.0 113.033 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -60.69 -37.11 80.55 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.852 -1.155 . . . . 0.0 113.867 171.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.44 -30.74 69.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.213 1.005 . . . . 0.0 112.668 173.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ttt -66.4 -40.3 89.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.397 171.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -45.93 82.97 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -69.22 -32.16 71.22 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.807 -1.183 . . . . 0.0 113.363 170.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.75 86.33 1.89 Allowed Glycine 0 N--CA 1.47 0.94 0 C-N-CA 125.86 1.695 . . . . 0.0 113.346 170.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.6 -160.12 0.87 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 126.344 1.858 . . . . 0.0 110.633 -176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -72.85 -131.33 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.56 1.544 . . . . 0.0 113.961 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 mp -138.47 -107.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 128.153 2.581 . . . . 0.0 107.27 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -19.48 40.51 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 122.18 2.264 . . . . 0.0 116.458 177.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.93 -36.29 18.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 112.688 -2.051 . . . . 0.0 113.714 169.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.8 92.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.137 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -60.57 -55.82 28.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.76 1.618 . . . . 0.0 112.758 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -27.71 67.68 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -74.38 -35.08 63.5 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -52.26 61.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.166 1.387 . . . . 0.0 112.392 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.0 -52.78 54.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.875 0.87 . . . . 0.0 111.235 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -54.54 -46.35 73.59 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.587 0.554 . . . . 0.0 110.559 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.81 -41.76 98.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 115.597 -2.144 . . . . 0.0 114.672 174.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.598 ' CG1' ' H ' ' A' ' 33' ' ' THR . 4.3 p 169.24 -93.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 122.437 2.38 . . . . 0.0 113.639 -173.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.598 ' H ' ' CG1' ' A' ' 32' ' ' VAL . 73.3 m -162.93 -78.67 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 129.464 3.106 . . . . 0.0 108.363 -168.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -147.39 -67.87 0.25 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.27 -39.67 92.89 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.652 1.569 . . . . 0.0 113.628 -170.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.07 -54.22 21.87 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 169.514 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -62.61 -38.3 89.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.753 -179.188 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 tt -59.37 -47.0 87.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.023 176.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -59.51 -55.19 37.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.616 1.166 . . . . 0.0 112.277 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.07 -46.28 77.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.681 0.792 . . . . 0.0 112.223 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.14 -42.8 93.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.886 1.274 . . . . 0.0 112.921 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -57.79 -44.47 86.31 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.084 0.553 . . . . 0.0 110.736 176.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -35.65 65.64 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 169.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -115.25 55.37 0.77 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.038 1.335 . . . . 0.0 113.973 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -79.89 150.66 30.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.992 1.317 . . . . 0.0 113.678 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.98 108.3 3.43 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.225 1.41 . . . . 0.0 110.438 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 N--CA 1.483 1.203 0 C-N-CA 126.655 1.982 . . . . 0.0 112.865 -175.305 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -54.27 -51.43 64.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.931 0.493 . . . . 0.0 109.95 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.23 -41.98 94.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.871 1.268 . . . . 0.0 113.974 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.3 ttm -63.08 -47.19 83.95 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.25 1.02 . . . . 0.0 113.005 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.53 -31.93 73.35 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.969 1.307 . . . . 0.0 111.585 176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.41 -41.25 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.411 1.084 . . . . 0.0 111.648 171.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.98 73.84 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.12 -1.612 . . . . 0.0 112.035 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -57.51 -37.7 73.43 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.041 0.936 . . . . 0.0 112.435 169.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.865 HD21 ' HB2' ' A' ' 28' ' ' TYR . 21.5 mt -58.58 -46.78 86.22 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -34.41 73.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 m -64.87 -37.13 86.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 38' ' ' LEU . 28.5 mt -79.06 -29.14 43.31 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.97 95.81 2.14 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -144.33 179.9 6.95 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.735 1.214 . . . . 0.0 111.75 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -65.74 -162.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.741 1.617 . . . . 0.0 112.896 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mt -105.9 -98.94 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 120.264 -1.522 . . . . 0.0 108.588 171.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.13 -43.86 95.37 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.74 -43.0 94.41 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 170.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.79 65.74 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.167 -0.92 . . . . 0.0 111.861 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -59.41 -54.98 40.41 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.009 1.277 . . . . 0.0 112.229 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -46.43 69.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.367 -0.833 . . . . 0.0 112.639 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -56.82 -51.27 69.65 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.18 0.992 . . . . 0.0 112.822 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.865 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -46.22 -55.69 6.78 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 111.516 175.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -33.14 74.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.138 1.375 . . . . 0.0 114.369 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -78.07 -24.95 47.47 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.73 -32.14 20.59 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.881 1.273 . . . . 0.0 112.318 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG13 ' H ' ' A' ' 33' ' ' THR . 12.9 p 157.3 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 130.552 3.541 . . . . 0.0 117.901 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.772 ' H ' HG13 ' A' ' 32' ' ' VAL . 25.4 p -128.35 -42.02 1.52 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 129.338 3.055 . . . . 0.0 113.651 -169.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 43.8 t80 178.0 -81.87 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.402 2.281 . . . . 0.0 111.377 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.88 -35.05 72.36 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.67 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.17 -40.54 94.45 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.55 0.74 . . . . 0.0 112.983 174.511 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -73.14 -38.84 66.13 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 120.051 1.296 . . . . 0.0 109.807 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 17' ' ' LEU . 2.6 tt -51.72 -48.4 63.62 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.826 0.85 . . . . 0.0 110.148 176.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.43 -42.8 96.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.265 1.026 . . . . 0.0 112.757 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.57 -43.57 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.383 1.073 . . . . 0.0 112.374 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.46 -39.1 91.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.748 1.619 . . . . 0.0 111.912 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -53.51 55.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.606 0.639 . . . . 0.0 111.194 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -49.96 70.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.691 1.132 . . . . 0.0 112.76 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ttm -57.33 -39.15 75.29 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -35.93 61.27 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.81 0.844 . . . . 0.0 112.039 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 44.2 mt -69.13 -42.81 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 119.962 -1.711 . . . . 0.0 110.992 176.092 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.61 -33.59 55.51 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.049 -1.032 . . . . 0.0 112.588 169.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.26 -36.59 80.44 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.117 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.9 mp -63.48 -47.5 81.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.344 0.975 . . . . 0.0 112.788 169.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -46.41 66.8 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.208 1.822 . . . . 0.0 113.906 172.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -54.55 -32.83 59.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.445 HD11 HD12 ' A' ' 38' ' ' LEU . 14.2 mt -86.95 -22.08 25.83 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 58.25 0.73 Allowed Glycine 0 CA--C 1.537 1.416 0 CA-C-N 121.53 1.968 . . . . 0.0 114.236 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mt -127.25 175.11 8.41 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.981 1.712 . . . . 0.0 112.358 -175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -60.46 -157.91 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 127.568 2.347 . . . . 0.0 114.81 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' THR . 2.6 mt -115.19 -94.18 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 120.172 -1.58 . . . . 0.0 109.133 176.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.89 -30.61 69.14 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.662 1.185 . . . . 0.0 112.635 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.89 -50.54 48.73 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.931 171.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.46 -50.73 59.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.999 1.272 . . . . 0.0 113.346 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.6 p -53.56 -40.4 65.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.399 0.999 . . . . 0.0 113.497 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.83 -28.05 58.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 173.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.29 -58.57 3.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 119.043 0.838 . . . . 0.0 109.388 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.708 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.14 -59.61 0.99 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.754 1.622 . . . . 0.0 113.068 169.771 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -29.36 69.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.38 -36.71 24.12 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -73.92 0.09 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 126.354 1.862 . . . . 0.0 107.953 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.889 HG13 ' H ' ' A' ' 33' ' ' THR . 5.3 p -164.33 -78.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 117.195 2.294 . . . . 0.0 117.195 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.889 ' H ' HG13 ' A' ' 32' ' ' VAL . 46.0 p -161.0 -58.26 0.05 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.475 2.71 . . . . 0.0 109.382 -168.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 6.7 t80 -179.72 -63.85 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 O-C-N 118.876 -2.39 . . . . 0.0 109.477 169.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.14 -32.09 72.64 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 113.221 -1.809 . . . . 0.0 111.765 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.692 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -71.19 -44.63 65.06 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.166 170.098 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -69.17 -43.78 73.53 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 123.105 2.684 . . . . 0.0 110.518 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 17' ' ' LEU . 6.3 tt -46.2 -44.94 16.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.201 0.909 . . . . 0.0 111.618 169.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.37 -46.48 90.01 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 171.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.12 -50.94 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 O-C-N 120.851 -1.156 . . . . 0.0 111.993 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.96 -56.02 26.07 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 128.334 2.654 . . . . 0.0 111.904 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.5 tttt . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 173.17 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.521 -0.276 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -45.61 93.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.957 0.903 . . . . 0.0 111.45 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -42.82 90.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 112.952 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.0 mtt -63.1 -44.64 95.12 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 171.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.15 -31.33 68.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.094 -1.004 . . . . 0.0 112.616 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -63.38 -44.79 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.564 1.075 . . . . 0.0 111.419 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.34 73.13 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.288 -0.882 . . . . 0.0 112.698 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.97 -40.25 80.16 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.057 -1.027 . . . . 0.0 113.616 171.549 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 19' ' ' LEU . 17.7 mt -60.24 -39.82 88.05 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 112.061 174.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.314 1.046 . . . . 0.0 113.396 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -58.5 3.69 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 118.617 0.644 . . . . 0.0 110.758 169.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.52 -32.67 65.3 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.06 83.76 1.73 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.14 1.352 . . . . 0.0 114.093 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 14' ' ' LEU . 58.7 mt -120.46 -158.28 0.74 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.943 1.297 . . . . 0.0 111.509 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 m -89.38 -147.28 0.17 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 124.125 0.97 . . . . 0.0 110.643 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 mt -113.38 -95.27 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 124.975 1.31 . . . . 0.0 110.313 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -46.46 88.34 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.34 1.056 . . . . 0.0 110.668 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.06 -37.9 72.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 168.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.83 80.01 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 121.761 2.073 . . . . 0.0 111.572 173.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -55.85 -47.46 77.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.779 0.718 . . . . 0.0 112.875 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.01 -23.9 63.21 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.95 -1.094 . . . . 0.0 113.666 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -74.28 -52.12 13.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 118.657 0.662 . . . . 0.0 109.673 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.95 -47.49 5.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.843 2.057 . . . . 0.0 115.173 171.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.07 -39.75 60.64 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -74.75 -2.88 28.45 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.7 -69.0 0.77 Allowed 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 33' ' ' THR . 5.8 p 178.6 -122.26 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-N 120.237 1.38 . . . . 0.0 107.614 -176.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.689 ' H ' HG22 ' A' ' 32' ' ' VAL . 28.1 m -102.75 -74.08 0.64 Allowed 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 127.697 2.399 . . . . 0.0 114.571 168.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 22.7 t80 -163.47 -51.77 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.691 1 CA-C-N 126.084 4.038 . . . . 0.0 107.928 -169.555 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.74 -36.4 28.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 125.654 1.582 . . . . 0.0 113.821 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.571 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -60.54 -52.03 66.93 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.826 0.45 . . . . 0.0 111.082 171.134 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -41.58 89.6 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.055 -1.028 . . . . 0.0 110.796 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 38' ' ' LEU . 6.4 tt -47.42 -45.31 25.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.663 0.602 . . . . 0.0 110.998 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -68.39 -44.57 74.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.651 1.18 . . . . 0.0 113.974 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.62 -49.82 71.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.064 0.945 . . . . 0.0 111.417 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.1 -38.64 87.02 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.422 1.889 . . . . 0.0 111.74 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mttp . . . . . 0 N--CA 1.478 0.95 0 CA-C-N 118.93 0.786 . . . . 0.0 112.436 170.576 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -57.76 -46.67 84.19 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.308 0.504 . . . . 0.0 111.072 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.15 -39.57 93.16 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.815 1.246 . . . . 0.0 113.768 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.54 -52.91 40.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.613 -0.679 . . . . 0.0 112.074 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.69 -42.02 74.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.213 0.605 . . . . 0.0 111.956 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.452 HG23 HG22 ' A' ' 25' ' ' THR . 44.7 mt -59.85 -45.78 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.697 1.199 . . . . 0.0 112.361 174.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.67 70.78 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.911 -1.118 . . . . 0.0 112.261 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -44.0 95.34 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.928 1.291 . . . . 0.0 113.348 170.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -40.31 93.56 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.211 1.369 . . . . 0.0 112.496 172.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -26.14 64.6 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 172.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -74.23 -50.75 17.75 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.188 0.903 . . . . 0.0 111.731 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.427 HD22 ' OH ' ' A' ' 37' ' ' TYR . 7.8 mp -54.61 -21.79 11.52 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 116.083 1.882 . . . . 0.0 116.083 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.05 45.96 2.13 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-N 119.577 1.08 . . . . 0.0 114.205 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.6 -166.09 1.25 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.471 1.508 . . . . 0.0 112.125 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -79.66 -151.23 0.06 Allowed 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 124.625 1.17 . . . . 0.0 111.483 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.648 HG23 ' H ' ' A' ' 22' ' ' GLU . 16.2 tt -108.66 -83.67 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 120.749 -1.219 . . . . 0.0 113.337 172.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.648 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 mt-10 -76.71 -47.73 21.01 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.85 0.75 . . . . 0.0 110.597 -173.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -52.16 -41.37 62.53 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.493 1.117 . . . . 0.0 112.062 169.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.87 75.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.835 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 21' ' ' ILE . 10.0 p -60.94 -40.15 92.19 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.47 -54.56 13.68 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 121.089 -1.007 . . . . 0.0 109.563 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.58 -37.64 63.14 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.85 1.66 . . . . 0.0 114.498 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -64.29 0.86 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 110.371 170.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.95 -33.01 71.35 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -36.06 62.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.971 -171.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.96 -48.43 16.28 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.916 1.689 . . . . 0.0 112.992 169.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 33' ' ' THR . 4.4 p -175.67 -137.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -168.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.618 ' N ' HG13 ' A' ' 32' ' ' VAL . 17.7 p -108.59 -69.94 0.83 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 129.717 3.207 . . . . 0.0 113.641 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -164.77 -55.86 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 O-C-N 117.856 -3.028 . . . . 0.0 107.718 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.18 -34.56 25.94 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.487 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.58 -49.92 74.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.229 0.612 . . . . 0.0 112.187 171.43 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -69.94 -39.75 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.091 1.314 . . . . 0.0 109.888 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 17' ' ' LEU . 7.0 tt -49.97 -45.83 51.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -64.57 -47.31 79.18 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.041 0.937 . . . . 0.0 112.997 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.2 mt -62.91 -54.54 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 119.033 0.833 . . . . 0.0 111.569 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.9 -44.22 94.39 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.292 2.237 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 tttp . . . . . 0 CA--C 1.55 0.953 0 C-N-CA 123.38 0.672 . . . . 0.0 112.098 173.359 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -60.08 -49.14 78.84 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.85 -0.595 . . . . 0.0 110.878 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -39.31 72.82 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.844 1.202 . . . . 0.0 114.188 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -49.85 60.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -29.96 70.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.073 0.949 . . . . 0.0 112.456 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.67 -36.46 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 125.198 1.399 . . . . 0.0 111.804 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.21 86.2 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.73 -1.231 . . . . 0.0 111.692 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -38.67 60.3 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.839 0.856 . . . . 0.0 111.835 169.296 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HB3' HD12 ' A' ' 19' ' ' LEU . 16.8 mt -63.74 -44.64 92.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.892 -1.13 . . . . 0.0 112.979 177.256 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -57.04 -19.66 20.07 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.718 1.207 . . . . 0.0 113.227 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -78.04 -32.29 50.88 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.5 -44.78 27.62 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.918 1.69 . . . . 0.0 111.166 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.52 99.88 2.39 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.167 1.365 . . . . 0.0 113.442 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 14' ' ' LEU . 80.9 mt -136.02 -159.64 0.98 Allowed 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 126.623 1.969 . . . . 0.0 113.357 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -93.03 -138.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 128.239 2.616 . . . . 0.0 112.693 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mt -120.03 -97.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.78 1.632 . . . . 0.0 108.724 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.06 -17.09 64.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.268 -1.52 . . . . 0.0 113.543 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -81.25 -38.9 26.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.438 170.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.28 87.01 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.997 1.726 . . . . 0.0 113.589 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -69.13 -49.73 54.38 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.514 0.597 . . . . 0.0 110.855 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.47 -21.91 66.81 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.889 -1.132 . . . . 0.0 113.231 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.39 -46.1 18.23 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.797 1.18 . . . . 0.0 110.297 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -49.82 23.79 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.399 1.48 . . . . 0.0 114.284 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.48 -47.97 62.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.12 -1.46 7.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.27 -66.27 0.92 Allowed 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 170.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.896 HG13 ' H ' ' A' ' 33' ' ' THR . 4.6 p -170.26 -102.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 CA-C-N 120.904 1.684 . . . . 0.0 109.218 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.896 ' H ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -133.43 -50.49 0.86 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.323 2.649 . . . . 0.0 115.39 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -175.99 -78.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.032 -2.293 . . . . 0.0 109.461 -172.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.31 -32.18 72.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.558 -1.339 . . . . 0.0 113.539 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.715 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -62.84 -46.49 87.65 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 119.149 -0.453 . . . . 0.0 111.885 176.081 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.45 -35.76 65.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.802 1.183 . . . . 0.0 110.97 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.07 -45.31 68.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.54 0.609 . . . . 0.0 110.544 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -48.42 71.66 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.022 0.828 . . . . 0.0 111.567 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.11 -50.79 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.188 0.995 . . . . 0.0 112.406 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.74 -32.76 70.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.794 1.638 . . . . 0.0 113.511 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 tttt . . . . . 0 CA--C 1.542 0.665 0 O-C-N 121.492 -0.755 . . . . 0.0 111.453 174.02 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.572 -0.159 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -58.41 -46.41 86.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.125 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -43.62 96.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.473 1.488 . . . . 0.0 111.78 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -61.36 2.59 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.536 0.735 . . . . 0.0 112.882 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.85 -36.23 26.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.071 0.948 . . . . 0.0 112.601 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' HA ' HD13 ' A' ' 14' ' ' LEU . 43.5 mt -72.18 -43.52 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.174 1.389 . . . . 0.0 111.365 175.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.41 68.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 119.235 -2.166 . . . . 0.0 112.2 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.449 HH11 ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.35 -36.92 76.6 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 121.377 -0.827 . . . . 0.0 112.612 169.456 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.8 mp -65.03 -38.24 90.23 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 168.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.0 ttm -62.69 -37.36 86.15 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.231 -0.918 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -56.83 15.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.838 0.855 . . . . 0.0 112.281 172.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.537 HD11 HD12 ' A' ' 38' ' ' LEU . 68.4 mt -58.76 -21.08 54.77 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.38 87.8 1.18 Allowed Glycine 0 C--N 1.34 0.78 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 HD23 ' A' ' 14' ' ' LEU . 51.5 mt -137.81 -179.05 5.53 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.44 0.696 . . . . 0.0 111.519 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -58.94 -157.35 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.584 1.954 . . . . 0.0 114.509 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.758 HG23 ' H ' ' A' ' 22' ' ' GLU . 10.0 tt -116.77 -97.55 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.758 ' H ' HG23 ' A' ' 21' ' ' ILE . 6.2 tt0 -67.12 -27.01 66.97 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.203 1.801 . . . . 0.0 113.759 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -73.71 -40.98 63.2 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.344 173.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.34 -50.64 69.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.412 1.005 . . . . 0.0 111.237 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.8 p -54.26 -45.66 72.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.96 0.886 . . . . 0.0 112.273 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -38.62 87.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.63 0.772 . . . . 0.0 112.803 175.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -68.1 -50.86 52.24 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 119.957 1.253 . . . . 0.0 111.671 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.754 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -44.4 -47.49 9.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.652 1.181 . . . . 0.0 113.937 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.25 -32.62 63.03 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.1 -25.25 47.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.57 -76.9 0.18 Allowed 'General case' 0 C--O 1.231 0.122 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 ' H ' ' A' ' 33' ' ' THR . 7.5 p -157.08 -95.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.922 ' H ' HG13 ' A' ' 32' ' ' VAL . 41.7 m -149.05 -39.08 0.16 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.096 2.558 . . . . 0.0 112.318 -169.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 51.8 t80 171.05 -87.71 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.949 2.499 . . . . 0.0 113.57 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.74 -39.27 76.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 120.164 1.347 . . . . 0.0 113.47 -173.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.609 ' CB ' HG11 ' A' ' 32' ' ' VAL . 1.3 mtt-85 -56.43 -47.97 77.97 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.093 171.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.52 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.94 -36.76 72.75 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.075 1.761 . . . . 0.0 110.618 178.082 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.537 HD12 HD11 ' A' ' 17' ' ' LEU . 1.9 tt -55.21 -52.51 63.11 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.841 1.2 . . . . 0.0 110.54 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.5 -42.39 78.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.036 1.334 . . . . 0.0 113.158 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.94 -43.44 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.638 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -46.37 65.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.148 1.779 . . . . 0.0 112.168 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mttt . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 124.46 1.104 . . . . 0.0 111.964 172.337 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 121.115 0.483 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -63.45 -47.05 83.47 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.816 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.51 -44.2 68.92 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.891 1.223 . . . . 0.0 113.449 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.9 mtt -58.91 -47.49 84.8 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -35.49 80.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 175.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.86 -44.81 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 125.35 1.46 . . . . 0.0 111.127 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.24 79.86 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.909 -1.12 . . . . 0.0 112.5 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.28 -46.7 79.6 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.627 169.788 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.606 HD23 HD13 ' A' ' 19' ' ' LEU . 6.1 mp -53.21 -42.64 66.51 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.663 1.574 . . . . 0.0 114.781 172.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.2 ttt -55.55 -35.27 65.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -55.56 -47.76 75.87 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 38' ' ' LEU . 3.7 mp -69.32 -32.3 71.32 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.334 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.56 73.34 0.88 Allowed Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.276 0.944 . . . . 0.0 113.004 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.606 HD13 HD23 ' A' ' 14' ' ' LEU . 3.5 mt -128.28 175.32 8.56 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.97 1.708 . . . . 0.0 111.322 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 1.9 m -58.15 -161.2 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 126.352 1.861 . . . . 0.0 113.802 177.398 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.791 HG23 ' H ' ' A' ' 22' ' ' GLU . 10.2 tt -107.73 -102.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 120.182 -1.574 . . . . 0.0 109.49 172.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.791 ' H ' HG23 ' A' ' 21' ' ' ILE . 43.9 mt-10 -54.63 -43.62 72.46 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.179 1.792 . . . . 0.0 112.382 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.57 -48.79 77.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.379 -0.826 . . . . 0.0 113.203 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' H ' ' HB2' ' A' ' 20' ' ' SER . . . -50.18 -41.3 49.15 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.222 -0.894 . . . . 0.0 112.054 172.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.4 p -62.85 -51.96 64.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.883 0.765 . . . . 0.0 112.149 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.95 -54.01 51.15 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.283 -0.886 . . . . 0.0 112.011 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -47.58 -55.9 8.29 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.301 1.44 . . . . 0.0 112.604 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.36 -53.44 1.98 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.554 1.142 . . . . 0.0 112.024 175.152 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.98 -37.99 69.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.787 1.235 . . . . 0.0 114.112 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.04 60.71 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.916 1.687 . . . . 0.0 115.526 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -65.75 0.63 Allowed 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 112.794 -2.003 . . . . 0.0 107.184 168.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.61 HG22 ' H ' ' A' ' 33' ' ' THR . 11.5 p 176.72 -132.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.536 3.83 1 O-C-N 129.34 4.15 . . . . 0.0 118.046 -169.714 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.61 ' H ' HG22 ' A' ' 32' ' ' VAL . 27.9 m -106.52 -53.53 2.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.733 2.013 . . . . 0.0 114.312 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.659 ' CE1' HD11 ' A' ' 17' ' ' LEU . 55.5 t80 -177.53 -56.81 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 125.911 3.96 . . . . 0.0 109.645 -174.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -35.61 36.78 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 126.2 1.8 . . . . 0.0 112.756 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.553 ' CB ' HG11 ' A' ' 32' ' ' VAL . 2.0 mpt_? -64.95 -54.28 33.13 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.64 170.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.529 ' OH ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.09 -47.56 84.07 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.329 1.422 . . . . 0.0 109.241 -177.181 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 17' ' ' LEU . 7.9 tp -45.82 -44.24 13.99 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.6 0.563 . . . . 0.0 111.872 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -41.2 80.43 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.75 -49.83 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 124.649 1.18 . . . . 0.0 110.813 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.34 -45.87 87.3 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.499 2.32 . . . . 0.0 111.414 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 173.238 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -50.75 64.54 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.271 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.2 -48.09 77.08 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.897 1.226 . . . . 0.0 113.565 177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.1 mtt -59.34 -47.04 86.91 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.808 1.185 . . . . 0.0 114.113 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -35.57 80.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.254 1.022 . . . . 0.0 112.162 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.81 -43.65 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 125.82 1.648 . . . . 0.0 111.512 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.17 81.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.271 -1.518 . . . . 0.0 111.894 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -40.56 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.099 0.96 . . . . 0.0 112.122 169.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.76 -45.65 89.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.6 tpt -56.42 -34.69 67.02 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -34.53 72.32 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' OH ' ' A' ' 37' ' ' TYR . 5.8 mp -78.68 -31.86 46.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 171.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.84 97.11 2.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.278 0.942 . . . . 0.0 111.093 -174.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.45 178.07 8.55 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.132 1.773 . . . . 0.0 111.656 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -63.38 -173.42 0.06 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.225 1.81 . . . . 0.0 114.312 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.695 HG23 ' H ' ' A' ' 22' ' ' GLU . 16.7 tt -83.64 -116.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 125.148 1.379 . . . . 0.0 111.091 167.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.695 ' H ' HG23 ' A' ' 21' ' ' ILE . 3.0 mt-10 -49.87 -42.48 47.79 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.555 1.942 . . . . 0.0 114.028 -175.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.51 -41.74 99.04 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.321 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.58 87.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.201 170.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -63.65 -52.14 62.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.933 1.242 . . . . 0.0 111.634 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.14 -40.85 86.78 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.26 -0.9 . . . . 0.0 112.794 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -63.5 -46.52 85.72 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.797 1.239 . . . . 0.0 112.229 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -55.24 9.98 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.81 -44.59 80.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.03 -27.04 67.81 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -79.97 -66.4 0.88 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.688 HG13 ' H ' ' A' ' 33' ' ' THR . 12.2 p -167.42 -123.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.688 ' H ' HG13 ' A' ' 32' ' ' VAL . 26.8 p -123.06 -35.07 3.06 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 127.419 2.288 . . . . 0.0 116.316 -174.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.3 t80 172.71 -78.99 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 128.066 2.546 . . . . 0.0 109.472 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.88 -38.04 81.09 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.56 -49.37 73.69 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 174.682 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.579 ' OH ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -68.88 -40.41 79.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.118 -0.988 . . . . 0.0 110.016 -174.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 17' ' ' LEU . 6.0 tt -47.71 -57.37 5.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.594 1.158 . . . . 0.0 110.078 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.93 -38.51 62.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.455 1.102 . . . . 0.0 112.393 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.36 -36.66 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 125.428 1.491 . . . . 0.0 113.486 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' HE1' ' A' ' 37' ' ' TYR . 7.5 mt -72.13 -45.24 61.35 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.422 1.489 . . . . 0.0 111.3 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.97 0 C-N-CA 125.759 1.624 . . . . 0.0 112.768 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.94 -51.97 67.03 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 117.892 -1.052 . . . . 0.0 111.945 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -52.4 40.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.612 1.551 . . . . 0.0 112.927 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.2 ttm -59.94 -39.52 85.79 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.505 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -37.03 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.572 -1.204 . . . . 0.0 113.162 172.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.624 HD11 HG23 ' A' ' 25' ' ' THR . 25.0 mt -66.92 -41.31 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 122.524 2.42 . . . . 0.0 111.236 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.4 50.27 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.508 -0.745 . . . . 0.0 112.202 169.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 7.0 mtt-85 -61.61 -36.41 80.66 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 169.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.5 mp -63.0 -49.8 73.24 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 120.367 -1.458 . . . . 0.0 113.237 169.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -44.19 37.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.597 1.09 . . . . 0.0 113.649 171.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -55.15 -42.41 73.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD11 HD12 ' A' ' 38' ' ' LEU . 25.2 mt -74.51 -20.31 60.03 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 172.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.88 66.04 0.8 Allowed Glycine 0 N--CA 1.475 1.243 0 CA-C-N 122.144 2.247 . . . . 0.0 110.704 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.48 HD13 HD23 ' A' ' 14' ' ' LEU . 29.8 mt -137.42 178.59 6.98 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 125.71 1.604 . . . . 0.0 111.298 -169.085 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -63.44 -159.99 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 127.154 2.182 . . . . 0.0 112.951 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -123.55 -83.86 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.911 -1.743 . . . . 0.0 111.218 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.58 -32.3 64.05 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.544 0.738 . . . . 0.0 111.619 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.18 -45.83 58.77 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.504 173.616 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB1' HD22 ' A' ' 14' ' ' LEU . . . -56.44 -46.56 80.24 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 120.568 1.531 . . . . 0.0 113.034 169.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.624 HG23 HD11 ' A' ' 11' ' ' ILE . 48.4 m -49.94 -42.93 49.56 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.112 1.324 . . . . 0.0 113.802 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 -31.67 62.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.341 173.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -67.76 -60.67 2.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 119.865 1.212 . . . . 0.0 109.453 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.724 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -36.54 -62.27 0.47 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.185 1.794 . . . . 0.0 115.108 169.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.75 -30.96 70.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -79.49 -47.75 15.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.747 0.784 . . . . 0.0 112.14 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -69.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 127.094 2.158 . . . . 0.0 109.002 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.868 HG13 ' H ' ' A' ' 33' ' ' THR . 2.5 p -173.73 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.868 ' H ' HG13 ' A' ' 32' ' ' VAL . 81.7 p -165.5 -58.06 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 128.407 2.683 . . . . 0.0 110.492 -168.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 16.2 t80 178.15 -55.28 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 123.696 2.953 . . . . 0.0 110.615 169.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.62 -39.3 93.47 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.833 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.719 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -70.22 -46.3 64.81 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.776 175.206 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.11 -43.86 81.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 122.118 2.235 . . . . 0.0 111.488 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 17' ' ' LEU . 4.4 tt -44.26 -43.04 7.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.099 0.409 . . . . 0.0 110.746 171.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.66 92.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.99 -46.27 35.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 120.796 1.635 . . . . 0.0 112.546 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.5 -57.56 10.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.029 1.732 . . . . 0.0 110.897 171.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tttp . . . . . 0 CA--C 1.566 1.58 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.568 178.802 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.78 0.324 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.5 -46.19 91.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.382 0.673 . . . . 0.0 110.779 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.93 -45.73 86.1 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.081 1.752 . . . . 0.0 112.391 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 28.0 ttm -58.38 -46.28 86.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -68.51 -43.05 77.64 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.288 -0.882 . . . . 0.0 111.304 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.27 -39.0 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.814 1.245 . . . . 0.0 112.334 170.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.11 -31.57 70.37 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.652 -1.28 . . . . 0.0 112.978 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.4 -30.85 71.51 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.004 -1.06 . . . . 0.0 112.958 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.628 ' HB3' HD12 ' A' ' 19' ' ' LEU . 10.4 mt -68.63 -47.62 66.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.942 1.297 . . . . 0.0 111.604 178.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -45.94 64.95 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.737 -1.574 . . . . 0.0 110.091 173.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 m -62.71 -16.95 59.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.24 -35.88 11.11 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.975 1.261 . . . . 0.0 111.813 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.56 97.28 2.42 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.89 1.71 . . . . 0.0 110.81 -172.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 14' ' ' LEU . 60.2 mt -143.71 178.84 7.53 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 125.658 1.583 . . . . 0.0 112.173 173.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 m -73.16 -153.76 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 126.887 2.075 . . . . 0.0 114.016 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.694 HG23 ' H ' ' A' ' 22' ' ' GLU 0.29 13.9 tt -103.41 -101.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 116.728 -1.605 . . . . 0.0 113.232 174.649 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.694 ' H ' HG23 ' A' ' 21' ' ' ILE . 5.6 mt-10 -66.67 -45.93 77.33 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.035 2.652 . . . . 0.0 108.996 -175.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -50.39 -38.1 40.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 167.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -34.59 77.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 117.503 -1.679 . . . . 0.0 112.995 169.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 p -68.58 -58.96 3.51 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.62 -20.11 12.7 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 169.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -83.33 -31.18 26.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.473 0.578 . . . . 0.0 111.493 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -53.07 32.0 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 120.665 -1.272 . . . . 0.0 111.34 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.17 -48.95 71.69 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.433 0.693 . . . . 0.0 111.976 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -57.23 -40.35 77.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 118.906 -1.118 . . . . 0.0 111.506 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.5 -51.07 60.65 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 116.155 -1.878 . . . . 0.0 113.158 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.953 HG13 ' H ' ' A' ' 33' ' ' THR . 4.3 p 179.95 -102.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.845 0 CA-C-N 124.26 3.209 . . . . 0.0 108.151 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.953 ' H ' HG13 ' A' ' 32' ' ' VAL . 85.6 m -148.33 -72.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.262 3.025 . . . . 0.0 109.272 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -151.68 -64.44 0.18 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.25 -35.57 81.43 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.84 0.745 . . . . 0.0 111.84 -171.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.578 ' CB ' HG11 ' A' ' 32' ' ' VAL . 6.1 mtt180 -60.22 -60.36 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 169.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -32.26 71.19 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.508 1.504 . . . . 0.0 111.226 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 38' ' ' LEU . 6.3 tt -57.83 -51.18 70.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.637 170.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.46 -54.76 41.68 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.491 1.041 . . . . 0.0 112.289 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.2 mt -54.54 -56.25 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.481 1.112 . . . . 0.0 111.588 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.201 1.8 . . . . 0.0 113.359 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 O-C-N 121.299 -0.876 . . . . 0.0 111.869 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 119.947 -0.073 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -62.04 -50.33 72.42 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.187 0.995 . . . . 0.0 110.331 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.38 -50.71 68.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.626 1.17 . . . . 0.0 113.437 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.8 mmt -57.83 -40.95 81.27 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.121 0.962 . . . . 0.0 113.022 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -39.47 90.95 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.019 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 14' ' ' LEU . 8.7 mm -65.81 -41.11 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.528 1.513 . . . . 0.0 110.928 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.43 -37.15 64.81 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.055 -1.028 . . . . 0.0 112.8 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -61.72 -38.28 87.32 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.5 mp -61.51 -43.96 97.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.536 1.062 . . . . 0.0 113.612 171.31 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtt -59.12 -37.57 77.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.464 1.029 . . . . 0.0 113.278 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -41.16 91.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 HD12 ' A' ' 38' ' ' LEU . 23.4 mt -75.82 -29.0 58.5 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.47 92.79 2.06 Favored Glycine 0 N--CA 1.47 0.901 0 C-N-CA 124.804 1.193 . . . . 0.0 111.319 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.494 HD13 HD23 ' A' ' 14' ' ' LEU . 71.9 mt -146.51 178.08 8.56 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 126.384 1.873 . . . . 0.0 110.608 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -66.68 -163.43 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.498 1.519 . . . . 0.0 113.399 175.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.06 -95.71 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.644 -1.285 . . . . 0.0 110.142 170.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.67 -41.66 86.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.414 1.461 . . . . 0.0 114.906 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.7 -42.01 99.42 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.867 0.467 . . . . 0.0 111.514 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.05 84.42 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.732 -1.128 . . . . 0.0 112.306 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -51.92 -57.95 7.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.71 1.595 . . . . 0.0 112.089 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.9 -49.78 58.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.663 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.17 -49.99 74.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.616 1.098 . . . . 0.0 113.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.769 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -48.92 -58.59 4.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.404 1.481 . . . . 0.0 111.874 175.841 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.12 -38.59 91.61 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.79 -26.08 62.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.794 1.238 . . . . 0.0 114.038 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.54 -52.31 7.36 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.362 1.065 . . . . 0.0 109.443 170.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.713 HG13 ' H ' ' A' ' 33' ' ' THR . 14.5 p 176.31 -121.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 127.862 2.465 . . . . 0.0 117.184 -171.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.713 ' H ' HG13 ' A' ' 32' ' ' VAL . 89.5 m -131.42 -34.33 1.4 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.642 2.777 . . . . 0.0 112.545 -171.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 56.5 t80 170.03 -84.63 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.905 2.082 . . . . 0.0 112.778 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -58.53 -35.95 73.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.362 0.983 . . . . 0.0 113.351 -171.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.631 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -58.44 -53.35 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.877 0.871 . . . . 0.0 111.953 170.141 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -65.44 -40.09 92.84 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.945 1.248 . . . . 0.0 111.018 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD12 HD11 ' A' ' 17' ' ' LEU . 2.8 tt -52.94 -48.16 67.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.087 0.955 . . . . 0.0 110.479 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.8 -42.67 89.63 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.41 -39.12 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 124.126 0.97 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.75 -44.03 71.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.43 1.892 . . . . 0.0 111.479 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 tptp . . . . . 0 CA--C 1.549 0.928 0 O-C-N 120.796 -1.19 . . . . 0.0 112.098 173.655 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 111.173 0.064 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -60.82 -51.31 69.84 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.798 0.839 . . . . 0.0 110.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.65 -42.43 78.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.418 1.487 . . . . 0.0 113.432 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt -65.77 -44.88 84.5 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -37.08 82.32 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.2 -0.937 . . . . 0.0 113.081 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 mt -60.7 -45.71 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 119.625 1.102 . . . . 0.0 111.857 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.72 67.0 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.473 -0.767 . . . . 0.0 112.835 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.82 71.62 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 170.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB3' HD12 ' A' ' 19' ' ' LEU . 8.6 mt -68.93 -42.27 77.01 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.94 -1.1 . . . . 0.0 112.002 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -31.92 61.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.367 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -65.58 -51.29 60.89 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 169.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.433 HD11 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -56.6 -40.15 74.8 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.659 1.118 . . . . 0.0 114.013 172.005 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.67 50.37 0.7 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.362 1.458 . . . . 0.0 114.514 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 14' ' ' LEU . 96.4 mt -88.55 -148.43 0.17 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 121.745 2.772 . . . . 0.0 111.965 174.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 20.0 m -98.0 -123.7 0.14 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 126.923 2.089 . . . . 0.0 111.817 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.02 -101.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.091 1.756 . . . . 0.0 112.659 170.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -36.21 78.86 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 123.416 2.825 . . . . 0.0 112.29 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.97 -36.76 77.81 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.304 169.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB2' ' H ' ' A' ' 20' ' ' SER . . . -62.74 -44.13 97.02 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.734 173.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -62.45 -48.13 80.99 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.113 0.869 . . . . 0.0 112.34 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -40.21 96.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.708 -1.245 . . . . 0.0 112.94 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -60.57 -48.78 80.26 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.384 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.984 1.714 . . . . 0.0 112.088 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.67 -40.61 84.44 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -60.52 -61.37 2.64 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 118.458 0.572 . . . . 0.0 109.46 169.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.38 -54.25 11.72 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.664 2.478 . . . . 0.0 107.721 -169.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.911 HG22 ' H ' ' A' ' 33' ' ' THR . 7.1 p 176.9 -137.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 127.247 2.219 . . . . 0.0 113.372 169.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.911 ' H ' HG22 ' A' ' 32' ' ' VAL . 61.8 m -84.83 -54.68 4.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 127.771 2.429 . . . . 0.0 112.268 172.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 173.75 -46.81 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.845 0 O-C-N 116.935 -3.603 . . . . 0.0 107.811 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.28 -38.55 78.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 128.265 2.626 . . . . 0.0 115.482 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CB ' HG11 ' A' ' 32' ' ' VAL . 1.9 ttp180 -71.64 -49.44 39.96 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.837 1.199 . . . . 0.0 110.765 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.418 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.59 -43.66 96.31 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.826 -1.171 . . . . 0.0 111.209 175.426 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.433 HD12 HD11 ' A' ' 17' ' ' LEU . 1.4 tt -49.01 -39.84 28.44 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -42.44 74.55 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 176.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.37 -56.04 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 120.697 -1.252 . . . . 0.0 111.942 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.78 -43.63 90.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.538 1.935 . . . . 0.0 112.02 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 N--CA 1.485 1.285 0 C-N-CA 123.509 0.724 . . . . 0.0 112.083 172.354 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 119.11 -0.471 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -54.9 -52.55 62.54 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.302 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.46 -44.63 80.73 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 120.16 1.345 . . . . 0.0 113.995 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.2 mtt -63.45 -43.88 96.09 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.86 -39.77 91.04 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.262 0.625 . . . . 0.0 112.024 173.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.9 mt -60.18 -40.98 85.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 125.021 1.328 . . . . 0.0 111.411 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.89 76.56 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.93 -1.106 . . . . 0.0 112.065 173.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 34' ' ' TYR . 1.2 ttm180 -59.34 -44.58 92.62 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.631 1.173 . . . . 0.0 112.794 169.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -60.02 -39.32 85.47 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.923 -1.111 . . . . 0.0 113.011 174.666 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.15 73.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.818 0.847 . . . . 0.0 112.163 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -62.1 -42.68 99.46 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 38' ' ' LEU . 7.2 mp -71.4 -4.87 28.71 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.15 83.04 0.72 Allowed Glycine 0 CA--C 1.539 1.556 0 CA-C-N 120.179 1.354 . . . . 0.0 113.644 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -145.49 170.82 15.65 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.313 1.845 . . . . 0.0 112.95 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -62.68 -171.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.165 1.786 . . . . 0.0 113.851 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 25' ' ' THR . 2.3 mp -94.48 -86.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.241 -1.537 . . . . 0.0 111.66 172.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.76 -35.66 65.02 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 119.487 1.04 . . . . 0.0 112.513 -172.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.38 -44.6 90.86 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.567 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.7 72.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 21' ' ' ILE . 11.9 p -73.09 -35.38 66.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 121.431 1.923 . . . . 0.0 112.126 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.294 -0.879 . . . . 0.0 111.056 177.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -69.32 -39.58 78.15 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.665 1.586 . . . . 0.0 112.361 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.416 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -53.9 -56.13 20.58 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.865 172.811 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.1 -49.93 72.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -61.96 -15.48 43.99 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.44 -63.19 1.32 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 169.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 33' ' ' THR . 11.6 p -172.98 -126.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.696 ' H ' HG13 ' A' ' 32' ' ' VAL . 17.8 p -122.62 -30.17 3.93 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.051 2.141 . . . . 0.0 116.347 -169.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 85.8 t80 163.19 -80.37 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 129.62 3.168 . . . . 0.0 109.29 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.86 -34.2 77.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.593 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -63.68 -46.54 85.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 173.503 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.471 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.09 -38.43 72.39 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.394 1.452 . . . . 0.0 109.124 -178.353 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 17' ' ' LEU . 5.9 tt -51.73 -44.7 63.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.877 0.871 . . . . 0.0 111.041 172.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.72 -45.48 82.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.33 -48.12 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.77 1.228 . . . . 0.0 111.032 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.46 -36.44 76.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.426 1.89 . . . . 0.0 112.283 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mttp . . . . . 0 N--CA 1.479 1.024 0 CA-C-N 120.259 1.391 . . . . 0.0 112.661 169.677 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -54.84 -54.39 43.01 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.328 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.86 -50.0 69.74 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.597 1.544 . . . . 0.0 113.88 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.35 -43.01 99.82 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.21 -37.9 88.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.969 1.308 . . . . 0.0 111.266 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.421 ' CG2' HG22 ' A' ' 25' ' ' THR . 58.4 mt -70.05 -43.71 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.793 1.637 . . . . 0.0 111.382 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.34 82.78 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 119.57 -1.956 . . . . 0.0 112.833 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -37.64 67.26 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.689 1.196 . . . . 0.0 112.247 169.213 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 19' ' ' LEU . 15.7 mt -60.36 -42.91 96.74 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.7 mtp -59.95 -37.18 78.8 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.829 -0.544 . . . . 0.0 112.388 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 m -60.4 -37.76 81.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -72.32 -29.13 63.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 173.041 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.83 96.22 1.55 Allowed Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 14' ' ' LEU . 62.0 mt -144.45 175.57 10.02 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.973 1.709 . . . . 0.0 113.422 173.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 m -64.59 -154.54 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 126.983 2.113 . . . . 0.0 113.428 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 25' ' ' THR . 35.2 mt -112.75 -100.59 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 119.981 -1.699 . . . . 0.0 108.987 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.12 70.78 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 120.333 1.424 . . . . 0.0 112.901 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.08 -46.55 50.92 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.511 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.33 63.09 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 171.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' ILE . 5.0 p -68.25 -41.31 81.33 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.98 1.371 . . . . 0.0 110.576 -178.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -35.27 73.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.048 173.58 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -72.37 -52.31 16.62 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 120.812 1.642 . . . . 0.0 106.97 -175.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -38.63 -46.97 1.27 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 168.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -22.13 46.42 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.04 -38.85 17.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.153 0.981 . . . . 0.0 112.873 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -71.52 0.18 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 127.293 2.237 . . . . 0.0 107.014 174.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.885 HG13 ' H ' ' A' ' 33' ' ' THR . 2.4 p -164.3 -77.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.327 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 171.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.885 ' H ' HG13 ' A' ' 32' ' ' VAL . 67.2 p -160.41 -51.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.079 2.152 . . . . 0.0 110.294 -167.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CE1' HD12 ' A' ' 17' ' ' LEU . 78.5 t80 176.68 -70.35 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.918 2.487 . . . . 0.0 108.316 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.21 -39.44 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -172.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.796 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.2 ttt180 -68.13 -48.19 66.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.397 0.279 . . . . 0.0 111.198 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -67.36 -47.21 71.1 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 117.625 -1.178 . . . . 0.0 109.518 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 17' ' ' LEU . 5.0 tt -42.19 -53.65 3.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.257 1.423 . . . . 0.0 110.891 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.23 -40.6 82.15 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.961 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.8 mt -73.03 -49.21 40.5 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 125.445 1.498 . . . . 0.0 111.928 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.71 -45.83 81.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.297 2.639 . . . . 0.0 112.563 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.9 mttt . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 124.587 1.155 . . . . 0.0 112.974 168.509 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 111.16 0.059 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -61.9 -45.73 92.48 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 123.187 0.595 . . . . 0.0 109.634 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.21 -40.69 98.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.619 0.645 . . . . 0.0 111.888 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.79 -57.31 9.25 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.547 -1.346 . . . . 0.0 114.172 172.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -28.61 6.1 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 171.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.2 mt -72.68 -45.18 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.39 82.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.126 -1.608 . . . . 0.0 111.813 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -54.33 -44.42 72.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.76 1.224 . . . . 0.0 111.943 169.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 19' ' ' LEU . 15.2 mt -58.69 -35.88 73.32 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -35.56 77.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.191 -0.913 . . . . 0.0 113.198 173.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -43.52 90.13 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 119.035 0.834 . . . . 0.0 112.123 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 38' ' ' LEU . 6.0 mp -77.01 -3.88 41.29 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.062 1.345 . . . . 0.0 113.895 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.49 85.66 0.15 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.351 1.453 . . . . 0.0 112.02 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 14' ' ' LEU . 77.1 mt -135.6 166.98 21.96 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 126.03 1.732 . . . . 0.0 109.237 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -64.47 -164.62 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.926 1.691 . . . . 0.0 113.97 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.651 HG23 ' H ' ' A' ' 22' ' ' GLU . 21.2 tt -87.08 -107.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 119.97 -1.706 . . . . 0.0 115.587 165.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.651 ' H ' HG23 ' A' ' 21' ' ' ILE . 5.0 pt-20 -47.13 -47.6 23.45 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 127.19 2.196 . . . . 0.0 112.796 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.16 -43.95 98.08 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 113.235 -1.802 . . . . 0.0 110.829 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.75 82.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.178 0.899 . . . . 0.0 112.081 168.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.4 p -62.68 -51.11 68.49 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.544 1.066 . . . . 0.0 112.371 -174.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.58 -40.81 96.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.633 -1.292 . . . . 0.0 111.487 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -60.38 -41.46 93.81 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.051 0.844 . . . . 0.0 112.576 175.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' CB ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -60.61 -48.54 81.31 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.069 2.148 . . . . 0.0 112.944 176.847 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -43.47 53.53 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.696 1.199 . . . . 0.0 110.833 -174.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.15 -59.61 4.69 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.794 0.838 . . . . 0.0 109.636 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.67 -38.85 49.0 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 115.475 -2.203 . . . . 0.0 115.509 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.936 HG13 ' H ' ' A' ' 33' ' ' THR . 5.6 p 162.51 -95.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.936 ' H ' HG13 ' A' ' 32' ' ' VAL . 89.9 m -158.97 -94.7 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 130.17 3.388 . . . . 0.0 105.881 -167.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 45.1 t80 -137.82 -64.1 0.55 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.311 -2.118 . . . . 0.0 114.858 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.78 -43.16 97.18 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 119.756 1.162 . . . . 0.0 111.81 -170.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.643 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -50.39 -48.67 55.88 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 171.163 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.566 ' OH ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.59 -39.02 77.53 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 118.767 0.712 . . . . 0.0 110.341 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 17' ' ' LEU . 2.0 tm? -60.01 -50.51 73.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.07 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.01 -50.15 73.61 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.991 1.268 . . . . 0.0 112.454 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.32 -48.89 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 O-C-N 123.783 0.677 . . . . 0.0 111.175 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.44 -32.31 66.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.537 1.935 . . . . 0.0 114.187 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.613 ' HE3' HD21 ' A' ' 38' ' ' LEU . 60.4 mttt . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 120.077 1.308 . . . . 0.0 110.244 170.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -54.67 44.29 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.378 176.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.65 -31.36 66.23 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.5 mtt -75.24 -46.91 30.8 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.1 85.07 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.434 -0.791 . . . . 0.0 112.093 173.159 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 25' ' ' THR . 61.8 mt -60.59 -46.76 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 124.833 1.253 . . . . 0.0 111.069 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.12 86.3 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.384 -1.447 . . . . 0.0 113.104 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -37.12 51.01 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 121.238 -0.914 . . . . 0.0 112.439 170.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.537 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.8 mt -64.6 -42.77 95.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -59.93 -23.24 63.37 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 172.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -24.5 54.32 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 171.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD11 HD12 ' A' ' 38' ' ' LEU . 2.7 mt -85.1 -26.39 26.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.63 1.172 . . . . 0.0 113.772 171.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.7 72.02 0.94 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.122 0.867 . . . . 0.0 112.691 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 14' ' ' LEU . 48.3 mt -119.77 -162.56 0.93 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.524 1.53 . . . . 0.0 111.382 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.435 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 20.2 m -87.13 -110.99 0.06 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.715 2.006 . . . . 0.0 113.978 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.723 HG23 ' H ' ' A' ' 22' ' ' GLU . 13.1 tt -152.57 -100.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 C-N-CA 127.889 2.476 . . . . 0.0 113.199 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.723 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.6 mt-10 -65.12 -48.56 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.697 -1.877 . . . . 0.0 111.718 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -39.52 72.2 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.909 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HB2' ' H ' ' A' ' 20' ' ' SER . . . -62.64 -40.51 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 171.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 11' ' ' ILE . 95.7 m -59.85 -52.1 66.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 111.842 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.56 -35.18 78.66 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.971 -1.081 . . . . 0.0 113.529 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -65.3 -46.7 79.33 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.031 0.532 . . . . 0.0 112.019 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -47.83 65.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.497 2.319 . . . . 0.0 113.824 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.84 -39.76 50.11 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 -178.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.68 -56.21 23.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.642 0.377 . . . . 0.0 110.432 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.74 -56.53 14.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 117.193 -1.384 . . . . 0.0 114.623 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.92 HG13 ' H ' ' A' ' 33' ' ' THR . 7.4 p 177.62 -107.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 124.998 1.319 . . . . 0.0 112.953 -171.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.92 ' H ' HG13 ' A' ' 32' ' ' VAL . 24.5 m -143.9 -97.95 0.11 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 130.636 3.574 . . . . 0.0 105.121 -173.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.96 -66.12 0.76 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.53 -36.78 83.68 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.503 1.502 . . . . 0.0 114.024 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' HD3' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -59.08 -53.37 59.08 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.619 -0.675 . . . . 0.0 112.69 173.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -36.13 83.31 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.447 1.021 . . . . 0.0 111.258 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD12 HD11 ' A' ' 17' ' ' LEU . 1.4 tt -53.84 -41.08 67.03 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.243 0.929 . . . . 0.0 111.995 171.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.37 -46.8 53.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.755 0.707 . . . . 0.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.84 -47.99 89.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 124.153 0.981 . . . . 0.0 111.405 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.67 -27.93 61.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 113.068 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.0 mttt . . . . . 0 N--CA 1.474 0.773 0 CA-C-N 121.087 1.767 . . . . 0.0 111.485 169.723 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.5 t . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 111.372 0.138 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -55.88 -49.18 74.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.702 0.801 . . . . 0.0 110.527 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -42.91 95.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.151 1.381 . . . . 0.0 113.552 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 tpt -63.79 -48.04 78.51 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 112.621 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -38.1 84.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.966 0.906 . . . . 0.0 112.128 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mt -62.94 -40.12 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 120.81 -1.181 . . . . 0.0 111.307 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.14 72.79 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.973 -1.079 . . . . 0.0 111.98 174.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.12 -43.69 91.97 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.298 -0.876 . . . . 0.0 113.001 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -60.49 -37.94 82.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.591 1.087 . . . . 0.0 112.897 176.863 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.96 76.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.636 -0.665 . . . . 0.0 111.928 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -31.26 72.08 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.258 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.744 HD21 HD12 ' A' ' 38' ' ' LEU . 6.6 mp -83.18 -0.61 50.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 172.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.7 83.03 0.51 Allowed Glycine 0 CA--C 1.534 1.262 0 CA-C-N 121.012 1.733 . . . . 0.0 112.864 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.9 mt -143.13 174.28 10.83 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.396 1.478 . . . . 0.0 112.645 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 m -64.76 -166.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.674 1.989 . . . . 0.0 113.183 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 25' ' ' THR . 6.2 mt -102.53 -80.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 119.72 -1.862 . . . . 0.0 111.596 175.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -39.05 49.5 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.243 0.929 . . . . 0.0 111.843 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.1 -44.03 97.98 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.273 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.7 79.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.867 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.3 p -60.42 -39.59 88.0 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.484 1.493 . . . . 0.0 114.432 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.33 -40.48 64.43 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.471 -0.768 . . . . 0.0 111.337 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.91 -44.56 96.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.656 1.183 . . . . 0.0 112.308 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.5 -61.34 2.24 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.488 1.115 . . . . 0.0 110.959 171.762 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -24.22 67.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.99 -20.77 25.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -84.35 -51.27 7.1 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG13 ' H ' ' A' ' 33' ' ' THR . 15.0 p 176.4 -121.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 127.734 2.414 . . . . 0.0 116.699 -172.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.724 ' H ' HG13 ' A' ' 32' ' ' VAL . 32.0 m -129.06 -37.02 1.72 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 128.339 2.656 . . . . 0.0 113.287 -168.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.6 t80 166.82 -83.24 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.719 2.408 . . . . 0.0 111.171 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.87 -31.88 73.08 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.712 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.6 -51.0 67.18 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.702 174.179 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.441 ' CZ ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -37.91 86.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.611 1.096 . . . . 0.0 110.128 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.744 HD12 HD21 ' A' ' 17' ' ' LEU . 7.7 tt -51.32 -52.38 45.84 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.147 173.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.2 -42.5 91.06 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.97 -46.16 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.196 0.999 . . . . 0.0 111.936 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.13 -38.65 69.21 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.031 2.132 . . . . 0.0 112.691 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt . . . . . 0 N--CA 1.475 0.812 0 O-C-N 120.886 -1.134 . . . . 0.0 111.545 169.545 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -58.85 -53.33 59.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.458 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -41.01 66.5 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.731 1.612 . . . . 0.0 114.307 175.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 ttt -69.48 -42.6 74.62 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -30.43 67.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.128 0.971 . . . . 0.0 112.783 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.552 HD11 HG23 ' A' ' 25' ' ' THR . 50.9 mt -64.9 -39.94 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 124.562 1.145 . . . . 0.0 111.274 172.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.33 88.95 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.731 -1.231 . . . . 0.0 112.131 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -55.5 -34.41 64.58 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.7 1.2 . . . . 0.0 113.446 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.38 -43.66 89.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.653 1.181 . . . . 0.0 112.39 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 tpp -58.97 -25.35 63.51 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.653 0.781 . . . . 0.0 112.669 173.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.97 -10.98 59.99 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 38' ' ' LEU . 25.2 mt -111.08 -3.85 15.31 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.67 1.588 . . . . 0.0 113.486 176.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.55 77.64 1.23 Allowed Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.024 0.821 . . . . 0.0 113.294 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -140.26 165.63 26.87 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.139 1.776 . . . . 0.0 113.955 -175.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -161.04 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.025 1.73 . . . . 0.0 112.568 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.77 -76.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 120.431 -1.418 . . . . 0.0 111.429 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.76 -44.13 17.43 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 118.776 0.716 . . . . 0.0 110.95 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.91 -45.84 89.36 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.38 69.31 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.821 170.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 11' ' ' ILE . 97.9 m -55.26 -47.68 75.09 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.872 1.215 . . . . 0.0 112.98 176.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.85 -51.31 59.9 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.796 -0.565 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.58 -48.81 63.03 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -58.45 4.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.931 1.292 . . . . 0.0 111.058 174.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.08 89.36 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -11.32 59.8 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.51 -42.08 8.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.52 1.128 . . . . 0.0 110.512 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG13 ' H ' ' A' ' 33' ' ' THR . 11.9 p 162.18 -125.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 127.89 3.244 . . . . 0.0 117.784 -172.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.719 ' H ' HG13 ' A' ' 32' ' ' VAL . 31.5 p -124.37 -40.01 2.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 128.353 2.661 . . . . 0.0 115.894 -169.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.1 t80 177.32 -69.73 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 123.68 2.946 . . . . 0.0 110.064 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -37.8 74.31 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.102 0.961 . . . . 0.0 112.67 -174.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.642 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.87 -44.51 96.67 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 118.855 -0.593 . . . . 0.0 112.595 174.2 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.9 -38.95 73.03 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.154 1.343 . . . . 0.0 110.263 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -49.7 -44.59 48.25 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.928 0.785 . . . . 0.0 111.014 175.55 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.79 -42.13 91.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 112.488 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.33 -48.15 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.274 1.029 . . . . 0.0 112.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.11 -45.73 91.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.871 2.069 . . . . 0.0 112.541 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.551 0.981 0 C-N-CA 123.167 0.587 . . . . 0.0 111.677 174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -54.3 46.09 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.766 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.45 -43.52 71.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.195 1.362 . . . . 0.0 114.007 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -52.16 64.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.487 0.715 . . . . 0.0 112.819 174.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -36.86 78.99 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.095 0.958 . . . . 0.0 112.41 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 25' ' ' THR . 54.7 mt -64.12 -44.91 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.768 1.627 . . . . 0.0 111.327 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.14 -37.44 72.02 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.976 -1.077 . . . . 0.0 112.108 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.95 75.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.827 0.851 . . . . 0.0 112.779 171.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 19' ' ' LEU . 16.2 mt -59.19 -43.97 92.21 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.176 -0.953 . . . . 0.0 112.417 173.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ttt -60.1 -28.24 67.67 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -60.96 -52.3 65.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.841 1.201 . . . . 0.0 111.884 169.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 38' ' ' LEU . 1.1 mt -58.29 -35.41 71.77 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 170.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.85 79.33 1.33 Allowed Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.76 1.171 . . . . 0.0 111.367 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 14' ' ' LEU . 44.8 mt -134.24 169.62 16.93 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-N 120.232 2.016 . . . . 0.0 110.087 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -55.67 -159.29 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 126.086 1.754 . . . . 0.0 113.728 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.9 mt -108.8 -97.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.329 -2.107 . . . . 0.0 109.364 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.11 -28.6 67.47 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.665 1.586 . . . . 0.0 112.911 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -49.2 43.57 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.966 -1.47 . . . . 0.0 112.175 171.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.95 76.36 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 120.962 1.71 . . . . 0.0 113.374 168.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 11' ' ' ILE . 90.1 m -48.18 -50.35 29.35 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.359 1.436 . . . . 0.0 113.492 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -73.86 -26.04 60.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -69.21 -61.4 1.81 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.495 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.83 -63.01 0.28 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.423 2.289 . . . . 0.0 113.92 169.671 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -34.23 77.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.96 -43.54 65.02 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.598 1.19 . . . . 0.0 113.595 169.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.288 0.6 OUTLIER -53.91 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 111.819 -2.446 . . . . 0.0 109.132 175.276 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.84 HG22 ' H ' ' A' ' 33' ' ' THR . 6.7 p 173.9 -132.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 C-N-CA 127.873 2.469 . . . . 0.0 108.355 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.84 ' H ' HG22 ' A' ' 32' ' ' VAL . 41.0 p -92.32 -57.75 2.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.523 2.729 . . . . 0.0 117.115 171.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' CE1' HD12 ' A' ' 17' ' ' LEU . 25.3 t80 179.96 -48.6 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.589 2 CA-C-N 127.178 4.535 . . . . 0.0 108.961 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.32 -35.94 61.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 126.336 1.854 . . . . 0.0 114.482 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.636 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -68.94 -49.13 60.72 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.675 -0.641 . . . . 0.0 110.998 174.476 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -43.37 86.83 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.578 -1.326 . . . . 0.0 110.154 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 17' ' ' LEU . 3.5 tt -44.86 -43.12 8.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 124.034 0.833 . . . . 0.0 109.87 172.492 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.63 -38.96 77.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -73.35 -50.08 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 119.754 1.161 . . . . 0.0 111.772 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.07 -45.99 86.28 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.721 2.408 . . . . 0.0 111.752 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt . . . . . 0 N--CA 1.484 1.235 0 O-C-N 122.205 -0.309 . . . . 0.0 111.729 173.57 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.026 -0.035 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -55.43 -47.76 75.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.204 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -37.64 84.38 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.121 0.969 . . . . 0.0 113.091 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -54.48 13.11 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.325 1.05 . . . . 0.0 113.088 177.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -53.02 -45.21 67.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.841 -1.162 . . . . 0.0 112.448 170.673 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.7 mt -54.5 -41.24 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.942 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.55 -34.97 78.97 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.542 -1.349 . . . . 0.0 113.033 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -60.69 -37.11 80.55 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.852 -1.155 . . . . 0.0 113.867 171.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -68.44 -30.74 69.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.213 1.005 . . . . 0.0 112.668 173.605 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ttt -66.4 -40.3 89.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.397 171.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -45.93 82.97 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.501 HD12 ' OH ' ' A' ' 37' ' ' TYR . 23.3 mt -69.22 -32.16 71.22 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.807 -1.183 . . . . 0.0 113.363 170.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.75 86.33 1.89 Allowed Glycine 0 N--CA 1.47 0.94 0 C-N-CA 125.86 1.695 . . . . 0.0 113.346 170.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.6 -160.12 0.87 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 126.344 1.858 . . . . 0.0 110.633 -176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -72.85 -131.33 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.56 1.544 . . . . 0.0 113.961 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 mp -138.47 -107.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 128.153 2.581 . . . . 0.0 107.27 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -19.48 40.51 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 122.18 2.264 . . . . 0.0 116.458 177.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.93 -36.29 18.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 112.688 -2.051 . . . . 0.0 113.714 169.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.8 92.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.137 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -60.57 -55.82 28.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.76 1.618 . . . . 0.0 112.758 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -27.71 67.68 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -74.38 -35.08 63.5 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -52.26 61.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.166 1.387 . . . . 0.0 112.392 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.0 -52.78 54.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.875 0.87 . . . . 0.0 111.235 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -54.54 -46.35 73.59 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.587 0.554 . . . . 0.0 110.559 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.81 -41.76 98.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 115.597 -2.144 . . . . 0.0 114.672 174.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 ' H ' ' A' ' 33' ' ' THR . 4.3 p 169.24 -93.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 122.437 2.38 . . . . 0.0 113.639 -173.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.922 ' H ' HG13 ' A' ' 32' ' ' VAL . 73.3 m -162.93 -78.67 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 129.464 3.106 . . . . 0.0 108.363 -168.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -147.39 -67.87 0.25 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.27 -39.67 92.89 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.652 1.569 . . . . 0.0 113.628 -170.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.6 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -50.07 -54.22 21.87 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 169.514 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.501 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.61 -38.3 89.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.753 -179.188 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.2 tt -59.37 -47.0 87.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.023 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -59.51 -55.19 37.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.616 1.166 . . . . 0.0 112.277 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.07 -46.28 77.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.681 0.792 . . . . 0.0 112.223 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.14 -42.8 93.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.886 1.274 . . . . 0.0 112.921 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 123.084 0.553 . . . . 0.0 110.736 176.439 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.192 0.044 . . . . 0.01 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mp -120.77 6.38 10.46 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.484 1.514 . . . . 0.0 113.683 -173.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -68.94 146.34 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.723 1.209 . . . . 0.0 111.718 174.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.02 -27.65 63.74 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.079 -1.013 . . . . 0.0 113.568 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.41 -33.72 63.78 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.364 1.866 . . . . 0.0 113.567 172.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.64 -51.49 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.265 0.939 . . . . 0.0 110.419 172.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -54.27 -51.43 64.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.931 0.493 . . . . 0.0 109.95 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.23 -41.98 94.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.871 1.268 . . . . 0.0 113.974 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.3 ttm -63.08 -47.19 83.95 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.25 1.02 . . . . 0.0 113.005 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.53 -31.93 73.35 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.969 1.307 . . . . 0.0 111.585 176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.41 -41.25 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.411 1.084 . . . . 0.0 111.648 171.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.98 73.84 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.12 -1.612 . . . . 0.0 112.035 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -57.51 -37.7 73.43 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.041 0.936 . . . . 0.0 112.435 169.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.865 HD21 ' HB2' ' A' ' 28' ' ' TYR . 21.5 mt -58.58 -46.78 86.22 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -34.41 73.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 m -64.87 -37.13 86.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 38' ' ' LEU . 28.5 mt -79.06 -29.14 43.31 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.97 95.81 2.14 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -144.33 179.9 6.95 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.735 1.214 . . . . 0.0 111.75 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -65.74 -162.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.741 1.617 . . . . 0.0 112.896 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mt -105.9 -98.94 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 120.264 -1.522 . . . . 0.0 108.588 171.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.13 -43.86 95.37 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.74 -43.0 94.41 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 170.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.79 65.74 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.167 -0.92 . . . . 0.0 111.861 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -59.41 -54.98 40.41 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.009 1.277 . . . . 0.0 112.229 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -46.43 69.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.367 -0.833 . . . . 0.0 112.639 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -56.82 -51.27 69.65 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.18 0.992 . . . . 0.0 112.822 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.865 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -46.22 -55.69 6.78 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 111.516 175.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -33.14 74.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.138 1.375 . . . . 0.0 114.369 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -78.07 -24.95 47.47 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.73 -32.14 20.59 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.881 1.273 . . . . 0.0 112.318 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG13 ' H ' ' A' ' 33' ' ' THR . 12.9 p 157.3 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 130.552 3.541 . . . . 0.0 117.901 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.772 ' H ' HG13 ' A' ' 32' ' ' VAL . 25.4 p -128.35 -42.02 1.52 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 129.338 3.055 . . . . 0.0 113.651 -169.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 43.8 t80 178.0 -81.87 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.402 2.281 . . . . 0.0 111.377 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.88 -35.05 72.36 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.67 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.17 -40.54 94.45 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.55 0.74 . . . . 0.0 112.983 174.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -73.14 -38.84 66.13 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 120.051 1.296 . . . . 0.0 109.807 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 17' ' ' LEU . 2.6 tt -51.72 -48.4 63.62 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.826 0.85 . . . . 0.0 110.148 176.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.43 -42.8 96.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.265 1.026 . . . . 0.0 112.757 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.57 -43.57 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.383 1.073 . . . . 0.0 112.374 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.46 -39.1 91.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.748 1.619 . . . . 0.0 111.912 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -31.03 72.04 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 172.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -55.65 22.43 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.333 0.653 . . . . 0.0 109.818 169.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -62.99 -174.57 0.07 Allowed 'General case' 0 CA--C 1.562 1.428 0 C-N-CA 125.733 1.613 . . . . 0.0 114.293 168.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 47.15 69.06 0.54 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.836 2.054 . . . . 0.0 115.971 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -63.32 155.92 27.23 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.864 1.266 . . . . 0.0 112.937 170.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 N--CA 1.488 1.449 0 C-N-CA 127.811 2.444 . . . . 0.0 113.938 -173.217 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 113.18 0.808 . . . . 0.01 113.18 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp 57.72 16.1 3.31 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 126.288 1.835 . . . . 0.0 115.358 -169.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 5' ' ' GLU . 59.0 t -73.51 133.88 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 120.727 -1.233 . . . . 0.0 110.939 177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -53.25 -39.62 63.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.401 1.081 . . . . 0.0 113.127 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.492 ' H ' HG12 ' A' ' 3' ' ' VAL . 9.7 tt0 -61.18 -40.64 94.66 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.075 0.95 . . . . 0.0 113.112 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.44 -51.38 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.131 173.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -53.51 55.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.606 0.639 . . . . 0.0 111.194 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -49.96 70.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.691 1.132 . . . . 0.0 112.76 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ttm -57.33 -39.15 75.29 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -35.93 61.27 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.81 0.844 . . . . 0.0 112.039 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 44.2 mt -69.13 -42.81 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 119.962 -1.711 . . . . 0.0 110.992 176.092 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.61 -33.59 55.51 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.049 -1.032 . . . . 0.0 112.588 169.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.26 -36.59 80.44 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.117 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.9 mp -63.48 -47.5 81.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.344 0.975 . . . . 0.0 112.788 169.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -46.41 66.8 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.208 1.822 . . . . 0.0 113.906 172.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -54.55 -32.83 59.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.445 HD11 HD12 ' A' ' 38' ' ' LEU . 14.2 mt -86.95 -22.08 25.83 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 58.25 0.73 Allowed Glycine 0 CA--C 1.537 1.416 0 CA-C-N 121.53 1.968 . . . . 0.0 114.236 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mt -127.25 175.11 8.41 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.981 1.712 . . . . 0.0 112.358 -175.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -60.46 -157.91 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 127.568 2.347 . . . . 0.0 114.81 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' THR . 2.6 mt -115.19 -94.18 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 120.172 -1.58 . . . . 0.0 109.133 176.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.89 -30.61 69.14 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.662 1.185 . . . . 0.0 112.635 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.89 -50.54 48.73 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.931 171.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.46 -50.73 59.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.999 1.272 . . . . 0.0 113.346 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.6 p -53.56 -40.4 65.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.399 0.999 . . . . 0.0 113.497 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.83 -28.05 58.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 173.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.29 -58.57 3.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 119.043 0.838 . . . . 0.0 109.388 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.708 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.14 -59.61 0.99 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.754 1.622 . . . . 0.0 113.068 169.771 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -29.36 69.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.38 -36.71 24.12 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -73.92 0.09 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 126.354 1.862 . . . . 0.0 107.953 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.889 HG13 ' H ' ' A' ' 33' ' ' THR . 5.3 p -164.33 -78.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 117.195 2.294 . . . . 0.0 117.195 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.889 ' H ' HG13 ' A' ' 32' ' ' VAL . 46.0 p -161.0 -58.26 0.05 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.475 2.71 . . . . 0.0 109.382 -168.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 6.7 t80 -179.72 -63.85 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 O-C-N 118.876 -2.39 . . . . 0.0 109.477 169.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.14 -32.09 72.64 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 113.221 -1.809 . . . . 0.0 111.765 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.692 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -71.19 -44.63 65.06 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.166 170.098 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -69.17 -43.78 73.53 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 123.105 2.684 . . . . 0.0 110.518 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 17' ' ' LEU . 6.3 tt -46.2 -44.94 16.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.201 0.909 . . . . 0.0 111.618 169.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.37 -46.48 90.01 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 171.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.12 -50.94 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 O-C-N 120.851 -1.156 . . . . 0.0 111.993 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.96 -56.02 26.07 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 128.334 2.654 . . . . 0.0 111.904 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -55.33 -25.26 33.61 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 173.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -78.2 -43.5 28.34 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 168.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -173.82 0.17 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 128.03 2.532 . . . . 0.0 113.93 169.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -53.67 122.91 10.83 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.039 -1.038 . . . . 0.0 112.456 169.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -111.51 176.73 4.91 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.512 1.925 . . . . 0.0 112.037 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.141 0 C-N-CA 124.757 1.223 . . . . 0.0 113.726 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.34 -0.362 . . . . 0.01 111.1 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.52 -50.46 73.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.092 0.957 . . . . 0.0 112.988 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -105.33 128.75 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.049 1.34 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -110.17 16.93 21.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.081 1.753 . . . . 0.0 112.541 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -54.68 -38.84 67.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.523 1.129 . . . . 0.0 113.161 171.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p -59.7 -46.37 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 117.889 0.313 . . . . 0.0 110.674 173.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -45.61 93.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.957 0.903 . . . . 0.0 111.45 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -42.82 90.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 112.952 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.0 mtt -63.1 -44.64 95.12 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 171.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.15 -31.33 68.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.094 -1.004 . . . . 0.0 112.616 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -63.38 -44.79 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.564 1.075 . . . . 0.0 111.419 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.34 73.13 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.288 -0.882 . . . . 0.0 112.698 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.97 -40.25 80.16 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.057 -1.027 . . . . 0.0 113.616 171.549 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 19' ' ' LEU . 17.7 mt -60.24 -39.82 88.05 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 112.061 174.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.314 1.046 . . . . 0.0 113.396 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -58.5 3.69 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 118.617 0.644 . . . . 0.0 110.758 169.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.52 -32.67 65.3 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.06 83.76 1.73 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.14 1.352 . . . . 0.0 114.093 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 14' ' ' LEU . 58.7 mt -120.46 -158.28 0.74 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.943 1.297 . . . . 0.0 111.509 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 m -89.38 -147.28 0.17 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 124.125 0.97 . . . . 0.0 110.643 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 mt -113.38 -95.27 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 124.975 1.31 . . . . 0.0 110.313 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -46.46 88.34 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.34 1.056 . . . . 0.0 110.668 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.06 -37.9 72.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 168.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.83 80.01 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 121.761 2.073 . . . . 0.0 111.572 173.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -55.85 -47.46 77.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.779 0.718 . . . . 0.0 112.875 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.01 -23.9 63.21 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.95 -1.094 . . . . 0.0 113.666 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -74.28 -52.12 13.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 118.657 0.662 . . . . 0.0 109.673 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.95 -47.49 5.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.843 2.057 . . . . 0.0 115.173 171.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.07 -39.75 60.64 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -74.75 -2.88 28.45 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.7 -69.0 0.77 Allowed 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 33' ' ' THR . 5.8 p 178.6 -122.26 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-N 120.237 1.38 . . . . 0.0 107.614 -176.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.689 ' H ' HG22 ' A' ' 32' ' ' VAL . 28.1 m -102.75 -74.08 0.64 Allowed 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 127.697 2.399 . . . . 0.0 114.571 168.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 22.7 t80 -163.47 -51.77 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.691 1 CA-C-N 126.084 4.038 . . . . 0.0 107.928 -169.555 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.74 -36.4 28.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 125.654 1.582 . . . . 0.0 113.821 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.571 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -60.54 -52.03 66.93 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.826 0.45 . . . . 0.0 111.082 171.134 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -41.58 89.6 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.055 -1.028 . . . . 0.0 110.796 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD23 ' C ' ' A' ' 38' ' ' LEU . 6.4 tt -47.42 -45.31 25.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.663 0.602 . . . . 0.0 110.998 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -68.39 -44.57 74.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.651 1.18 . . . . 0.0 113.974 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.62 -49.82 71.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.064 0.945 . . . . 0.0 111.417 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.1 -38.64 87.02 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.422 1.889 . . . . 0.0 111.74 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -55.85 -36.4 67.5 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.93 0.786 . . . . 0.0 112.436 170.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.82 -25.76 59.24 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -151.31 84.75 1.32 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.415 1.486 . . . . 0.0 112.43 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.02 0.49 25.68 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.318 1.047 . . . . 0.0 113.321 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.87 151.68 41.78 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.815 1.246 . . . . 0.0 113.314 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.248 1.021 0 C-N-CA 127.615 2.366 . . . . 0.0 110.702 -172.563 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.259 -0.274 . . . . 0.01 110.259 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp 60.62 -71.06 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.558 2.743 . . . . 0.0 113.366 -169.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.61 169.99 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 127.153 2.181 . . . . 0.0 110.309 173.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -154.87 84.33 1.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.658 -0.651 . . . . 0.0 111.819 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.93 -37.12 68.53 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.59 -51.89 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.017 0.527 . . . . 0.0 110.769 173.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -57.76 -46.67 84.19 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.308 0.504 . . . . 0.0 111.072 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.15 -39.57 93.16 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.815 1.246 . . . . 0.0 113.768 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.54 -52.91 40.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.613 -0.679 . . . . 0.0 112.074 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.69 -42.02 74.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.213 0.605 . . . . 0.0 111.956 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.452 HG23 HG22 ' A' ' 25' ' ' THR . 44.7 mt -59.85 -45.78 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.697 1.199 . . . . 0.0 112.361 174.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.67 70.78 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.911 -1.118 . . . . 0.0 112.261 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -44.0 95.34 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.928 1.291 . . . . 0.0 113.348 170.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -40.31 93.56 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.211 1.369 . . . . 0.0 112.496 172.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -26.14 64.6 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 172.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -74.23 -50.75 17.75 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.188 0.903 . . . . 0.0 111.731 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.427 HD22 ' OH ' ' A' ' 37' ' ' TYR . 7.8 mp -54.61 -21.79 11.52 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 116.083 1.882 . . . . 0.0 116.083 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.05 45.96 2.13 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-N 119.577 1.08 . . . . 0.0 114.205 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.6 -166.09 1.25 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.471 1.508 . . . . 0.0 112.125 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -79.66 -151.23 0.06 Allowed 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 124.625 1.17 . . . . 0.0 111.483 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.648 HG23 ' H ' ' A' ' 22' ' ' GLU . 16.2 tt -108.66 -83.67 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 120.749 -1.219 . . . . 0.0 113.337 172.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.648 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 mt-10 -76.71 -47.73 21.01 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.85 0.75 . . . . 0.0 110.597 -173.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -52.16 -41.37 62.53 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.493 1.117 . . . . 0.0 112.062 169.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.87 75.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.835 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 21' ' ' ILE . 10.0 p -60.94 -40.15 92.19 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.47 -54.56 13.68 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 121.089 -1.007 . . . . 0.0 109.563 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.58 -37.64 63.14 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.85 1.66 . . . . 0.0 114.498 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -64.29 0.86 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 110.371 170.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.95 -33.01 71.35 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -36.06 62.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.971 -171.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.96 -48.43 16.28 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.916 1.689 . . . . 0.0 112.992 169.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 33' ' ' THR . 4.4 p -175.67 -137.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -168.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.618 ' N ' HG13 ' A' ' 32' ' ' VAL . 17.7 p -108.59 -69.94 0.83 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 129.717 3.207 . . . . 0.0 113.641 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -164.77 -55.86 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 O-C-N 117.856 -3.028 . . . . 0.0 107.718 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.18 -34.56 25.94 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.487 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.58 -49.92 74.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.229 0.612 . . . . 0.0 112.187 171.43 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -69.94 -39.75 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.091 1.314 . . . . 0.0 109.888 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 17' ' ' LEU . 7.0 tt -49.97 -45.83 51.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -64.57 -47.31 79.18 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.041 0.937 . . . . 0.0 112.997 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.2 mt -62.91 -54.54 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 119.033 0.833 . . . . 0.0 111.569 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.9 -44.22 94.39 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.292 2.237 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.8 -39.5 85.2 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.38 0.672 . . . . 0.0 112.098 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -76.47 -26.1 55.0 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -169.43 140.27 2.25 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.555 1.942 . . . . 0.0 112.865 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -133.15 136.78 45.95 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.359 -1.463 . . . . 0.0 110.948 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -67.25 177.31 1.88 Allowed 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 170.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 C-N-CA 126.039 1.736 . . . . 0.0 110.622 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 119.298 -0.382 . . . . 0.01 111.979 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 29.9 mt -46.28 140.35 4.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.994 1.318 . . . . 0.0 113.205 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.62 144.33 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.711 1.205 . . . . 0.0 113.086 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.64 -23.78 29.36 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.83 -36.65 85.04 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.829 0.851 . . . . 0.0 113.038 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p -61.85 -39.99 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 O-C-N 121.911 -0.493 . . . . 0.0 111.316 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -60.08 -49.14 78.84 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.85 -0.595 . . . . 0.0 110.878 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -39.31 72.82 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.844 1.202 . . . . 0.0 114.188 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -49.85 60.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -29.96 70.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.073 0.949 . . . . 0.0 112.456 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.67 -36.46 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 125.198 1.399 . . . . 0.0 111.804 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.21 86.2 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.73 -1.231 . . . . 0.0 111.692 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -38.67 60.3 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.839 0.856 . . . . 0.0 111.835 169.296 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HB3' HD12 ' A' ' 19' ' ' LEU . 16.8 mt -63.74 -44.64 92.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.892 -1.13 . . . . 0.0 112.979 177.256 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -57.04 -19.66 20.07 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.718 1.207 . . . . 0.0 113.227 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -78.04 -32.29 50.88 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.5 -44.78 27.62 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.918 1.69 . . . . 0.0 111.166 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.52 99.88 2.39 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.167 1.365 . . . . 0.0 113.442 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 14' ' ' LEU . 80.9 mt -136.02 -159.64 0.98 Allowed 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 126.623 1.969 . . . . 0.0 113.357 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -93.03 -138.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 128.239 2.616 . . . . 0.0 112.693 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mt -120.03 -97.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.78 1.632 . . . . 0.0 108.724 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.06 -17.09 64.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.268 -1.52 . . . . 0.0 113.543 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -81.25 -38.9 26.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.438 170.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.28 87.01 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.997 1.726 . . . . 0.0 113.589 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -69.13 -49.73 54.38 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.514 0.597 . . . . 0.0 110.855 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.47 -21.91 66.81 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.889 -1.132 . . . . 0.0 113.231 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.39 -46.1 18.23 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.797 1.18 . . . . 0.0 110.297 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -49.82 23.79 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.399 1.48 . . . . 0.0 114.284 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.48 -47.97 62.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.12 -1.46 7.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.27 -66.27 0.92 Allowed 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 170.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.896 HG13 ' H ' ' A' ' 33' ' ' THR . 4.6 p -170.26 -102.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 CA-C-N 120.904 1.684 . . . . 0.0 109.218 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.896 ' H ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -133.43 -50.49 0.86 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.323 2.649 . . . . 0.0 115.39 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -175.99 -78.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.032 -2.293 . . . . 0.0 109.461 -172.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.31 -32.18 72.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.558 -1.339 . . . . 0.0 113.539 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.715 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -62.84 -46.49 87.65 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 119.149 -0.453 . . . . 0.0 111.885 176.081 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.45 -35.76 65.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.802 1.183 . . . . 0.0 110.97 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.07 -45.31 68.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.54 0.609 . . . . 0.0 110.544 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -48.42 71.66 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.022 0.828 . . . . 0.0 111.567 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.11 -50.79 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.188 0.995 . . . . 0.0 112.406 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.74 -32.76 70.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.794 1.638 . . . . 0.0 113.511 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -71.96 -37.42 69.95 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.492 -0.755 . . . . 0.0 111.453 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -56.95 14.44 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 169.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 tttt 79.57 -63.02 0.26 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.617 1.967 . . . . 0.0 109.855 170.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 39.17 31.06 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.978 2.511 . . . . 0.0 115.482 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -152.96 132.66 13.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.096 1.758 . . . . 0.0 109.477 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.881 1.673 . . . . 0.0 111.651 -177.176 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 110.351 -0.24 . . . . 0.01 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.34 -57.88 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.344 1.458 . . . . 0.0 113.934 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p -129.4 2.51 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 126.002 1.721 . . . . 0.0 112.782 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -73.96 16.45 0.23 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 128.035 2.534 . . . . 0.0 114.053 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -50.8 -45.29 59.25 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 120.855 1.661 . . . . 0.0 113.779 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.72 -50.96 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.137 0.975 . . . . 0.0 110.572 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -58.41 -46.41 86.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.125 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -43.62 96.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.473 1.488 . . . . 0.0 111.78 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -61.36 2.59 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.536 0.735 . . . . 0.0 112.882 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.85 -36.23 26.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.071 0.948 . . . . 0.0 112.601 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' HA ' HD13 ' A' ' 14' ' ' LEU . 43.5 mt -72.18 -43.52 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.174 1.389 . . . . 0.0 111.365 175.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.41 68.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 119.235 -2.166 . . . . 0.0 112.2 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.449 HH11 ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.35 -36.92 76.6 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 121.377 -0.827 . . . . 0.0 112.612 169.456 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.8 mp -65.03 -38.24 90.23 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 168.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.0 ttm -62.69 -37.36 86.15 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.231 -0.918 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -56.83 15.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.838 0.855 . . . . 0.0 112.281 172.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.537 HD11 HD12 ' A' ' 38' ' ' LEU . 68.4 mt -58.76 -21.08 54.77 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.38 87.8 1.18 Allowed Glycine 0 C--N 1.34 0.78 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 HD23 ' A' ' 14' ' ' LEU . 51.5 mt -137.81 -179.05 5.53 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.44 0.696 . . . . 0.0 111.519 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -58.94 -157.35 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.584 1.954 . . . . 0.0 114.509 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.758 HG23 ' H ' ' A' ' 22' ' ' GLU . 10.0 tt -116.77 -97.55 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.758 ' H ' HG23 ' A' ' 21' ' ' ILE . 6.2 tt0 -67.12 -27.01 66.97 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.203 1.801 . . . . 0.0 113.759 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -73.71 -40.98 63.2 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.344 173.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.34 -50.64 69.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.412 1.005 . . . . 0.0 111.237 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.8 p -54.26 -45.66 72.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.96 0.886 . . . . 0.0 112.273 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -38.62 87.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.63 0.772 . . . . 0.0 112.803 175.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -68.1 -50.86 52.24 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 119.957 1.253 . . . . 0.0 111.671 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.754 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -44.4 -47.49 9.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.652 1.181 . . . . 0.0 113.937 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.25 -32.62 63.03 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.1 -25.25 47.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.57 -76.9 0.18 Allowed 'General case' 0 C--O 1.231 0.122 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 ' H ' ' A' ' 33' ' ' THR . 7.5 p -157.08 -95.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.922 ' H ' HG13 ' A' ' 32' ' ' VAL . 41.7 m -149.05 -39.08 0.16 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.096 2.558 . . . . 0.0 112.318 -169.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 51.8 t80 171.05 -87.71 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.949 2.499 . . . . 0.0 113.57 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.74 -39.27 76.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 120.164 1.347 . . . . 0.0 113.47 -173.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.609 ' CB ' HG11 ' A' ' 32' ' ' VAL . 1.3 mtt-85 -56.43 -47.97 77.97 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.093 171.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.52 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.94 -36.76 72.75 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.075 1.761 . . . . 0.0 110.618 178.082 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD12 HD11 ' A' ' 17' ' ' LEU . 1.9 tt -55.21 -52.51 63.11 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.841 1.2 . . . . 0.0 110.54 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.5 -42.39 78.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.036 1.334 . . . . 0.0 113.158 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.94 -43.44 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.638 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -46.37 65.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.148 1.779 . . . . 0.0 112.168 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -56.98 -45.77 82.69 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.46 1.104 . . . . 0.0 111.964 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 t -59.33 -49.67 76.91 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.407 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -64.93 -176.9 0.3 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 126.266 1.826 . . . . 0.0 114.885 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -96.95 174.19 6.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.754 2.021 . . . . 0.0 112.186 170.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt 51.19 35.51 13.53 Favored 'General case' 0 CA--C 1.554 1.135 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 127.422 2.289 . . . . 0.0 114.152 171.939 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.466 0.174 . . . . 0.01 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mp -133.98 103.18 5.7 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.638 1.575 . . . . 0.0 110.718 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 m -146.3 146.5 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.661 1.984 . . . . 0.0 109.957 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -56.59 -18.47 11.99 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -54.13 -35.65 62.44 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.717 1.607 . . . . 0.0 114.102 171.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.15 -41.39 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 118.391 0.542 . . . . 0.0 111.769 175.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -63.45 -47.05 83.47 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.816 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.51 -44.2 68.92 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.891 1.223 . . . . 0.0 113.449 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.9 mtt -58.91 -47.49 84.8 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -35.49 80.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 175.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.86 -44.81 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 125.35 1.46 . . . . 0.0 111.127 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.24 79.86 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.909 -1.12 . . . . 0.0 112.5 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.28 -46.7 79.6 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.627 169.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.606 HD23 HD13 ' A' ' 19' ' ' LEU . 6.1 mp -53.21 -42.64 66.51 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.663 1.574 . . . . 0.0 114.781 172.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.2 ttt -55.55 -35.27 65.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -55.56 -47.76 75.87 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 38' ' ' LEU . 3.7 mp -69.32 -32.3 71.32 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.56 73.34 0.88 Allowed Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.276 0.944 . . . . 0.0 113.004 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.606 HD13 HD23 ' A' ' 14' ' ' LEU . 3.5 mt -128.28 175.32 8.56 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.97 1.708 . . . . 0.0 111.322 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 1.9 m -58.15 -161.2 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 126.352 1.861 . . . . 0.0 113.802 177.398 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.791 HG23 ' H ' ' A' ' 22' ' ' GLU . 10.2 tt -107.73 -102.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 120.182 -1.574 . . . . 0.0 109.49 172.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.791 ' H ' HG23 ' A' ' 21' ' ' ILE . 43.9 mt-10 -54.63 -43.62 72.46 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.179 1.792 . . . . 0.0 112.382 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.57 -48.79 77.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.379 -0.826 . . . . 0.0 113.203 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' H ' ' HB2' ' A' ' 20' ' ' SER . . . -50.18 -41.3 49.15 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.222 -0.894 . . . . 0.0 112.054 172.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.4 p -62.85 -51.96 64.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.883 0.765 . . . . 0.0 112.149 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.95 -54.01 51.15 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.283 -0.886 . . . . 0.0 112.011 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -47.58 -55.9 8.29 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.301 1.44 . . . . 0.0 112.604 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.36 -53.44 1.98 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.554 1.142 . . . . 0.0 112.024 175.152 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.98 -37.99 69.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.787 1.235 . . . . 0.0 114.112 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.04 60.71 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.916 1.687 . . . . 0.0 115.526 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -65.75 0.63 Allowed 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 112.794 -2.003 . . . . 0.0 107.184 168.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.61 HG22 ' H ' ' A' ' 33' ' ' THR . 11.5 p 176.72 -132.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.536 3.83 1 O-C-N 129.34 4.15 . . . . 0.0 118.046 -169.714 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.61 ' H ' HG22 ' A' ' 32' ' ' VAL . 27.9 m -106.52 -53.53 2.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.733 2.013 . . . . 0.0 114.312 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.659 ' CE1' HD11 ' A' ' 17' ' ' LEU . 55.5 t80 -177.53 -56.81 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 125.911 3.96 . . . . 0.0 109.645 -174.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -35.61 36.78 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 126.2 1.8 . . . . 0.0 112.756 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.553 ' CB ' HG11 ' A' ' 32' ' ' VAL . 2.0 mpt_? -64.95 -54.28 33.13 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.64 170.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' OH ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.09 -47.56 84.07 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.329 1.422 . . . . 0.0 109.241 -177.181 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 17' ' ' LEU . 7.9 tp -45.82 -44.24 13.99 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.6 0.563 . . . . 0.0 111.872 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -41.2 80.43 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.75 -49.83 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 124.649 1.18 . . . . 0.0 110.813 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.34 -45.87 87.3 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.499 2.32 . . . . 0.0 111.414 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -53.92 -33.43 56.64 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -47.8 53.94 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.931 0.492 . . . . 0.0 112.173 170.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.95 102.65 4.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.219 1.808 . . . . 0.0 113.278 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.34 119.62 23.3 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.088 0.955 . . . . 0.0 110.654 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.27 97.36 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.682 1.993 . . . . 0.0 114.397 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.142 0 C-N-CA 125.634 1.574 . . . . 0.0 111.225 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 112.206 0.447 . . . . 0.01 112.206 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.95 114.14 2.67 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.863 -1.148 . . . . 0.0 111.461 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.98 124.2 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.738 1.215 . . . . 0.0 110.311 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -56.32 -29.8 61.74 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -39.05 76.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.459 1.504 . . . . 0.0 113.988 172.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.03 -49.96 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.663 170.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -50.75 64.54 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.271 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.2 -48.09 77.08 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.897 1.226 . . . . 0.0 113.565 177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.1 mtt -59.34 -47.04 86.91 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.808 1.185 . . . . 0.0 114.113 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -35.57 80.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.254 1.022 . . . . 0.0 112.162 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.81 -43.65 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 125.82 1.648 . . . . 0.0 111.512 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.17 81.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.271 -1.518 . . . . 0.0 111.894 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -40.56 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.099 0.96 . . . . 0.0 112.122 169.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.76 -45.65 89.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.6 tpt -56.42 -34.69 67.02 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -34.53 72.32 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' OH ' ' A' ' 37' ' ' TYR . 5.8 mp -78.68 -31.86 46.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 171.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.84 97.11 2.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.278 0.942 . . . . 0.0 111.093 -174.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.45 178.07 8.55 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.132 1.773 . . . . 0.0 111.656 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -63.38 -173.42 0.06 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.225 1.81 . . . . 0.0 114.312 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.695 HG23 ' H ' ' A' ' 22' ' ' GLU . 16.7 tt -83.64 -116.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 125.148 1.379 . . . . 0.0 111.091 167.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.695 ' H ' HG23 ' A' ' 21' ' ' ILE . 3.0 mt-10 -49.87 -42.48 47.79 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.555 1.942 . . . . 0.0 114.028 -175.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.51 -41.74 99.04 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.321 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.58 87.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.201 170.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -63.65 -52.14 62.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.933 1.242 . . . . 0.0 111.634 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.14 -40.85 86.78 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.26 -0.9 . . . . 0.0 112.794 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -63.5 -46.52 85.72 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.797 1.239 . . . . 0.0 112.229 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -55.24 9.98 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.81 -44.59 80.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.03 -27.04 67.81 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -79.97 -66.4 0.88 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.688 HG13 ' H ' ' A' ' 33' ' ' THR . 12.2 p -167.42 -123.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.688 ' H ' HG13 ' A' ' 32' ' ' VAL . 26.8 p -123.06 -35.07 3.06 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 127.419 2.288 . . . . 0.0 116.316 -174.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.3 t80 172.71 -78.99 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 128.066 2.546 . . . . 0.0 109.472 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.88 -38.04 81.09 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.56 -49.37 73.69 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 174.682 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.579 ' OH ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -68.88 -40.41 79.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.118 -0.988 . . . . 0.0 110.016 -174.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 17' ' ' LEU . 6.0 tt -47.71 -57.37 5.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.594 1.158 . . . . 0.0 110.078 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.93 -38.51 62.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.455 1.102 . . . . 0.0 112.393 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.36 -36.66 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 125.428 1.491 . . . . 0.0 113.486 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' HE1' ' A' ' 37' ' ' TYR . 7.5 mt -72.13 -45.24 61.35 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.422 1.489 . . . . 0.0 111.3 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -33.5 70.64 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.759 1.624 . . . . 0.0 112.768 169.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -62.02 -47.69 83.65 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.037 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.4 tttt 65.76 92.15 0.08 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.916 2.087 . . . . 0.0 113.463 170.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.0 20.27 1.12 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.806 1.409 . . . . 0.0 114.806 -171.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.8 156.04 0.09 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 126.552 1.941 . . . . 0.0 112.804 -172.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.482 1.17 0 C-N-CA 125.69 1.596 . . . . 0.0 111.649 -174.442 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 119.49 -0.29 . . . . 0.01 110.799 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.36 87.85 0.86 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.405 1.082 . . . . 0.0 111.818 172.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.4 t -133.3 128.39 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.258 1.423 . . . . 0.0 109.675 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 48.75 30.61 2.68 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.693 1.597 . . . . 0.0 113.776 -174.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -39.11 83.85 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.376 1.07 . . . . 0.0 113.054 -172.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.2 -47.61 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.389 1.076 . . . . 0.0 111.46 171.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.94 -51.97 67.03 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 117.892 -1.052 . . . . 0.0 111.945 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -52.4 40.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.612 1.551 . . . . 0.0 112.927 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.2 ttm -59.94 -39.52 85.79 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.505 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -37.03 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.572 -1.204 . . . . 0.0 113.162 172.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.624 HD11 HG23 ' A' ' 25' ' ' THR . 25.0 mt -66.92 -41.31 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 122.524 2.42 . . . . 0.0 111.236 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.4 50.27 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.508 -0.745 . . . . 0.0 112.202 169.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 7.0 mtt-85 -61.61 -36.41 80.66 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 169.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.5 mp -63.0 -49.8 73.24 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 120.367 -1.458 . . . . 0.0 113.237 169.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -44.19 37.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.597 1.09 . . . . 0.0 113.649 171.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -55.15 -42.41 73.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD11 HD12 ' A' ' 38' ' ' LEU . 25.2 mt -74.51 -20.31 60.03 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 172.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.88 66.04 0.8 Allowed Glycine 0 N--CA 1.475 1.243 0 CA-C-N 122.144 2.247 . . . . 0.0 110.704 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.48 HD13 HD23 ' A' ' 14' ' ' LEU . 29.8 mt -137.42 178.59 6.98 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 125.71 1.604 . . . . 0.0 111.298 -169.085 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -63.44 -159.99 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 127.154 2.182 . . . . 0.0 112.951 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -123.55 -83.86 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.911 -1.743 . . . . 0.0 111.218 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.58 -32.3 64.05 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.544 0.738 . . . . 0.0 111.619 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.18 -45.83 58.77 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.504 173.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB1' HD22 ' A' ' 14' ' ' LEU . . . -56.44 -46.56 80.24 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 120.568 1.531 . . . . 0.0 113.034 169.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.624 HG23 HD11 ' A' ' 11' ' ' ILE . 48.4 m -49.94 -42.93 49.56 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.112 1.324 . . . . 0.0 113.802 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 -31.67 62.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.341 173.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -67.76 -60.67 2.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 119.865 1.212 . . . . 0.0 109.453 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.724 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -36.54 -62.27 0.47 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.185 1.794 . . . . 0.0 115.108 169.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.75 -30.96 70.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -79.49 -47.75 15.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.747 0.784 . . . . 0.0 112.14 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -69.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 127.094 2.158 . . . . 0.0 109.002 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.868 HG13 ' H ' ' A' ' 33' ' ' THR . 2.5 p -173.73 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.868 ' H ' HG13 ' A' ' 32' ' ' VAL . 81.7 p -165.5 -58.06 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 128.407 2.683 . . . . 0.0 110.492 -168.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 16.2 t80 178.15 -55.28 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 123.696 2.953 . . . . 0.0 110.615 169.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.62 -39.3 93.47 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.833 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.719 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -70.22 -46.3 64.81 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.776 175.206 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.11 -43.86 81.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 122.118 2.235 . . . . 0.0 111.488 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 17' ' ' LEU . 4.4 tt -44.26 -43.04 7.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.099 0.409 . . . . 0.0 110.746 171.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.66 92.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.99 -46.27 35.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 120.796 1.635 . . . . 0.0 112.546 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.5 -57.56 10.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.029 1.732 . . . . 0.0 110.897 171.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -58.3 -18.81 29.84 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.568 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -38.23 21.81 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 167.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . 0.287 3.8 tttp 63.83 101.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.012 2.925 . . . . 0.0 115.85 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -139.24 -55.82 0.59 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.292 1.437 . . . . 0.0 114.145 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -68.72 125.17 25.73 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.339 0.972 . . . . 0.0 111.008 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--O 1.25 1.109 0 C-N-CA 127.2 2.2 . . . . 0.0 110.663 -178.176 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 119.016 -0.516 . . . . 0.01 111.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.53 -56.28 4.76 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.379 0.99 . . . . 0.0 113.141 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 t -68.4 135.43 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.22 12.9 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.571 1.948 . . . . 0.0 115.414 169.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -50.34 -39.85 47.39 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 127.016 2.126 . . . . 0.0 114.349 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -60.83 -52.25 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.735 0.814 . . . . 0.0 111.037 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.5 -46.19 91.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.382 0.673 . . . . 0.0 110.779 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.93 -45.73 86.1 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.081 1.752 . . . . 0.0 112.391 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 28.0 ttm -58.38 -46.28 86.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -68.51 -43.05 77.64 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.288 -0.882 . . . . 0.0 111.304 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.27 -39.0 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.814 1.245 . . . . 0.0 112.334 170.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.11 -31.57 70.37 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.652 -1.28 . . . . 0.0 112.978 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.4 -30.85 71.51 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.004 -1.06 . . . . 0.0 112.958 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.628 ' HB3' HD12 ' A' ' 19' ' ' LEU . 10.4 mt -68.63 -47.62 66.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.942 1.297 . . . . 0.0 111.604 178.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -45.94 64.95 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.737 -1.574 . . . . 0.0 110.091 173.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 m -62.71 -16.95 59.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.24 -35.88 11.11 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.975 1.261 . . . . 0.0 111.813 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.56 97.28 2.42 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.89 1.71 . . . . 0.0 110.81 -172.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 14' ' ' LEU . 60.2 mt -143.71 178.84 7.53 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 125.658 1.583 . . . . 0.0 112.173 173.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 m -73.16 -153.76 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 126.887 2.075 . . . . 0.0 114.016 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.694 HG23 ' H ' ' A' ' 22' ' ' GLU 0.29 13.9 tt -103.41 -101.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 116.728 -1.605 . . . . 0.0 113.232 174.649 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.694 ' H ' HG23 ' A' ' 21' ' ' ILE . 5.6 mt-10 -66.67 -45.93 77.33 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.035 2.652 . . . . 0.0 108.996 -175.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -50.39 -38.1 40.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 167.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -34.59 77.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 117.503 -1.679 . . . . 0.0 112.995 169.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 p -68.58 -58.96 3.51 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.62 -20.11 12.7 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 169.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -83.33 -31.18 26.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.473 0.578 . . . . 0.0 111.493 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -53.07 32.0 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 120.665 -1.272 . . . . 0.0 111.34 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.17 -48.95 71.69 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.433 0.693 . . . . 0.0 111.976 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -57.23 -40.35 77.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 118.906 -1.118 . . . . 0.0 111.506 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.5 -51.07 60.65 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 116.155 -1.878 . . . . 0.0 113.158 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.953 HG13 ' H ' ' A' ' 33' ' ' THR . 4.3 p 179.95 -102.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.845 0 CA-C-N 124.26 3.209 . . . . 0.0 108.151 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.953 ' H ' HG13 ' A' ' 32' ' ' VAL . 85.6 m -148.33 -72.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.262 3.025 . . . . 0.0 109.272 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -151.68 -64.44 0.18 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.25 -35.57 81.43 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.84 0.745 . . . . 0.0 111.84 -171.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.578 ' CB ' HG11 ' A' ' 32' ' ' VAL . 6.1 mtt180 -60.22 -60.36 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 169.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -32.26 71.19 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.508 1.504 . . . . 0.0 111.226 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD23 ' C ' ' A' ' 38' ' ' LEU . 6.3 tt -57.83 -51.18 70.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.637 170.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.46 -54.76 41.68 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.491 1.041 . . . . 0.0 112.289 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.2 mt -54.54 -56.25 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.481 1.112 . . . . 0.0 111.588 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.201 1.8 . . . . 0.0 113.359 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -35.06 70.65 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.299 -0.876 . . . . 0.0 111.869 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 t -69.53 -48.13 61.46 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.346 -0.846 . . . . 0.0 112.504 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -169.85 -171.27 1.15 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.041 2.137 . . . . 0.0 111.048 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 71.1 139.69 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.943 1.697 . . . . 0.0 112.873 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.2 160.01 0.05 Allowed 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.707 1.203 . . . . 0.0 112.991 -170.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.485 1.284 0 O-C-N 120.484 -1.385 . . . . 0.0 113.401 -177.792 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 110.642 -0.132 . . . . 0.01 110.642 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.19 130.5 55.49 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.194 0.998 . . . . 0.0 111.162 173.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -147.53 165.27 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.88 1.672 . . . . 0.0 111.897 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.53 -22.8 0.28 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.608 1.563 . . . . 0.0 114.368 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -61.46 -35.81 78.65 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 121.507 -0.746 . . . . 0.0 112.881 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.69 -42.99 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.112 0.565 . . . . 0.0 111.136 173.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -62.04 -50.33 72.42 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.187 0.995 . . . . 0.0 110.331 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.38 -50.71 68.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.626 1.17 . . . . 0.0 113.437 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.8 mmt -57.83 -40.95 81.27 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.121 0.962 . . . . 0.0 113.022 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -39.47 90.95 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.019 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 14' ' ' LEU . 8.7 mm -65.81 -41.11 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.528 1.513 . . . . 0.0 110.928 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.43 -37.15 64.81 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.055 -1.028 . . . . 0.0 112.8 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -61.72 -38.28 87.32 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.5 mp -61.51 -43.96 97.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.536 1.062 . . . . 0.0 113.612 171.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtt -59.12 -37.57 77.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.464 1.029 . . . . 0.0 113.278 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -41.16 91.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 HD12 ' A' ' 38' ' ' LEU . 23.4 mt -75.82 -29.0 58.5 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.47 92.79 2.06 Favored Glycine 0 N--CA 1.47 0.901 0 C-N-CA 124.804 1.193 . . . . 0.0 111.319 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.494 HD13 HD23 ' A' ' 14' ' ' LEU . 71.9 mt -146.51 178.08 8.56 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 126.384 1.873 . . . . 0.0 110.608 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -66.68 -163.43 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.498 1.519 . . . . 0.0 113.399 175.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.06 -95.71 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.644 -1.285 . . . . 0.0 110.142 170.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.67 -41.66 86.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.414 1.461 . . . . 0.0 114.906 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.7 -42.01 99.42 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.867 0.467 . . . . 0.0 111.514 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.05 84.42 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.732 -1.128 . . . . 0.0 112.306 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -51.92 -57.95 7.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.71 1.595 . . . . 0.0 112.089 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.9 -49.78 58.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.663 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.17 -49.99 74.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.616 1.098 . . . . 0.0 113.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.769 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -48.92 -58.59 4.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.404 1.481 . . . . 0.0 111.874 175.841 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.12 -38.59 91.61 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.79 -26.08 62.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.794 1.238 . . . . 0.0 114.038 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.54 -52.31 7.36 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.362 1.065 . . . . 0.0 109.443 170.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.713 HG13 ' H ' ' A' ' 33' ' ' THR . 14.5 p 176.31 -121.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 127.862 2.465 . . . . 0.0 117.184 -171.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.713 ' H ' HG13 ' A' ' 32' ' ' VAL . 89.5 m -131.42 -34.33 1.4 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.642 2.777 . . . . 0.0 112.545 -171.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 56.5 t80 170.03 -84.63 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.905 2.082 . . . . 0.0 112.778 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -58.53 -35.95 73.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.362 0.983 . . . . 0.0 113.351 -171.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.631 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -58.44 -53.35 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.877 0.871 . . . . 0.0 111.953 170.141 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -65.44 -40.09 92.84 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.945 1.248 . . . . 0.0 111.018 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD12 HD11 ' A' ' 17' ' ' LEU . 2.8 tt -52.94 -48.16 67.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.087 0.955 . . . . 0.0 110.479 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.8 -42.67 89.63 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.41 -39.12 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 124.126 0.97 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.75 -44.03 71.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.43 1.892 . . . . 0.0 111.479 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -57.56 -36.46 71.68 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.796 -1.19 . . . . 0.0 112.098 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 m -61.77 -60.12 4.13 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.821 169.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -75.31 81.23 2.41 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 171.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.96 28.65 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 O-C-N 120.115 -1.616 . . . . 0.0 114.006 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -60.57 -32.83 71.9 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.223 1.809 . . . . 0.0 113.706 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--O 1.25 1.086 0 C-N-CA 126.838 2.055 . . . . 0.0 110.757 -178.665 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 109.653 -0.499 . . . . 0.01 109.653 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.75 176.97 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.161 1.384 . . . . 0.0 112.549 -167.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.267 9.1 p 47.52 25.25 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 126.283 1.833 . . . . 0.0 114.522 -175.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -62.19 -15.11 44.29 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.218 -1.551 . . . . 0.0 113.961 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -61.45 -36.67 81.04 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.749 1.62 . . . . 0.0 113.25 169.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -40.13 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 118.268 0.485 . . . . 0.0 111.173 170.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -60.82 -51.31 69.84 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.798 0.839 . . . . 0.0 110.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.65 -42.43 78.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.418 1.487 . . . . 0.0 113.432 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt -65.77 -44.88 84.5 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -37.08 82.32 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.2 -0.937 . . . . 0.0 113.081 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 mt -60.7 -45.71 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 119.625 1.102 . . . . 0.0 111.857 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.72 67.0 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.473 -0.767 . . . . 0.0 112.835 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.82 71.62 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 170.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB3' HD12 ' A' ' 19' ' ' LEU . 8.6 mt -68.93 -42.27 77.01 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.94 -1.1 . . . . 0.0 112.002 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -31.92 61.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -65.58 -51.29 60.89 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 169.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.433 HD11 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -56.6 -40.15 74.8 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.659 1.118 . . . . 0.0 114.013 172.005 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.67 50.37 0.7 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.362 1.458 . . . . 0.0 114.514 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 14' ' ' LEU . 96.4 mt -88.55 -148.43 0.17 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 121.745 2.772 . . . . 0.0 111.965 174.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 20.0 m -98.0 -123.7 0.14 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 126.923 2.089 . . . . 0.0 111.817 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.02 -101.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.091 1.756 . . . . 0.0 112.659 170.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -36.21 78.86 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 123.416 2.825 . . . . 0.0 112.29 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.97 -36.76 77.81 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.304 169.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB2' ' H ' ' A' ' 20' ' ' SER . . . -62.74 -44.13 97.02 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.734 173.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -62.45 -48.13 80.99 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.113 0.869 . . . . 0.0 112.34 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -40.21 96.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.708 -1.245 . . . . 0.0 112.94 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -60.57 -48.78 80.26 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.384 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.984 1.714 . . . . 0.0 112.088 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.67 -40.61 84.44 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -60.52 -61.37 2.64 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 118.458 0.572 . . . . 0.0 109.46 169.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.38 -54.25 11.72 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.664 2.478 . . . . 0.0 107.721 -169.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.911 HG22 ' H ' ' A' ' 33' ' ' THR . 7.1 p 176.9 -137.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 127.247 2.219 . . . . 0.0 113.372 169.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.911 ' H ' HG22 ' A' ' 32' ' ' VAL . 61.8 m -84.83 -54.68 4.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 127.771 2.429 . . . . 0.0 112.268 172.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 173.75 -46.81 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.845 0 O-C-N 116.935 -3.603 . . . . 0.0 107.811 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.28 -38.55 78.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 128.265 2.626 . . . . 0.0 115.482 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CB ' HG11 ' A' ' 32' ' ' VAL . 1.9 ttp180 -71.64 -49.44 39.96 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.837 1.199 . . . . 0.0 110.765 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.59 -43.66 96.31 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.826 -1.171 . . . . 0.0 111.209 175.426 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.433 HD12 HD11 ' A' ' 17' ' ' LEU . 1.4 tt -49.01 -39.84 28.44 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -42.44 74.55 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 176.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.37 -56.04 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 120.697 -1.252 . . . . 0.0 111.942 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.78 -43.63 90.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.538 1.935 . . . . 0.0 112.02 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -57.17 -32.42 66.41 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.509 0.724 . . . . 0.0 112.083 172.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -77.47 -36.48 52.76 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -169.67 0.59 Allowed 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.369 1.867 . . . . 0.0 111.771 168.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -145.9 142.98 29.27 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.491 -1.381 . . . . 0.0 111.468 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 97.79 2.6 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.136 0.974 . . . . 0.0 111.295 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 127.656 2.382 . . . . 0.0 113.182 -177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.534 0.207 . . . . 0.01 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.12 96.63 2.76 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.025 1.73 . . . . 0.0 110.686 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t 62.65 148.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 127.316 2.246 . . . . 0.0 113.623 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.35 -45.05 49.6 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.099 -1.626 . . . . 0.0 113.182 177.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -57.98 -46.76 84.66 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 125.315 1.446 . . . . 0.0 113.832 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.82 -46.98 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.36 0.664 . . . . 0.0 110.906 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -54.9 -52.55 62.54 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.302 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.46 -44.63 80.73 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 120.16 1.345 . . . . 0.0 113.995 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.2 mtt -63.45 -43.88 96.09 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.86 -39.77 91.04 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.262 0.625 . . . . 0.0 112.024 173.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.9 mt -60.18 -40.98 85.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 125.021 1.328 . . . . 0.0 111.411 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.89 76.56 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.93 -1.106 . . . . 0.0 112.065 173.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 34' ' ' TYR . 1.2 ttm180 -59.34 -44.58 92.62 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.631 1.173 . . . . 0.0 112.794 169.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -60.02 -39.32 85.47 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.923 -1.111 . . . . 0.0 113.011 174.666 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.15 73.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.818 0.847 . . . . 0.0 112.163 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -62.1 -42.68 99.46 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 38' ' ' LEU . 7.2 mp -71.4 -4.87 28.71 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.15 83.04 0.72 Allowed Glycine 0 CA--C 1.539 1.556 0 CA-C-N 120.179 1.354 . . . . 0.0 113.644 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -145.49 170.82 15.65 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.313 1.845 . . . . 0.0 112.95 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -62.68 -171.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.165 1.786 . . . . 0.0 113.851 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 25' ' ' THR . 2.3 mp -94.48 -86.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.241 -1.537 . . . . 0.0 111.66 172.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.76 -35.66 65.02 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 119.487 1.04 . . . . 0.0 112.513 -172.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.38 -44.6 90.86 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.567 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.7 72.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 21' ' ' ILE . 11.9 p -73.09 -35.38 66.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 121.431 1.923 . . . . 0.0 112.126 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.294 -0.879 . . . . 0.0 111.056 177.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -69.32 -39.58 78.15 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.665 1.586 . . . . 0.0 112.361 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.416 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -53.9 -56.13 20.58 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.865 172.811 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.1 -49.93 72.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -61.96 -15.48 43.99 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.44 -63.19 1.32 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 169.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 33' ' ' THR . 11.6 p -172.98 -126.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.696 ' H ' HG13 ' A' ' 32' ' ' VAL . 17.8 p -122.62 -30.17 3.93 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.051 2.141 . . . . 0.0 116.347 -169.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 85.8 t80 163.19 -80.37 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 129.62 3.168 . . . . 0.0 109.29 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.86 -34.2 77.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.593 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -63.68 -46.54 85.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 173.503 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.471 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.09 -38.43 72.39 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.394 1.452 . . . . 0.0 109.124 -178.353 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 17' ' ' LEU . 5.9 tt -51.73 -44.7 63.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.877 0.871 . . . . 0.0 111.041 172.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.72 -45.48 82.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.33 -48.12 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.77 1.228 . . . . 0.0 111.032 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.46 -36.44 76.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.426 1.89 . . . . 0.0 112.283 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -62.77 -34.71 77.81 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.259 1.391 . . . . 0.0 112.661 169.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -49.67 76.92 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 170.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 mttt 62.11 179.98 0.13 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.369 1.068 . . . . 0.0 111.499 -176.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 56.42 21.48 5.57 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.27 -53.83 0.47 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 128.825 2.85 . . . . 0.0 114.436 -169.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.139 0 C-N-CA 127.394 2.277 . . . . 0.0 110.297 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 119.571 -0.252 . . . . 0.01 111.573 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.407 ' H ' HG21 ' A' ' 6' ' ' VAL 0.285 4.8 tt 59.28 97.85 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.627 2.371 . . . . 0.0 114.768 -177.776 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.799 HG22 ' H ' ' A' ' 4' ' ' ASP . 9.3 p -163.55 -161.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 127.806 2.442 . . . . 0.0 110.251 -174.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.799 ' H ' HG22 ' A' ' 3' ' ' VAL . 14.2 t70 -50.58 -49.01 57.41 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.209 2.203 . . . . 0.0 114.853 176.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -38.02 83.95 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.407 HG21 ' H ' ' A' ' 2' ' ' LEU . 87.5 t -71.05 -43.31 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.432 0.693 . . . . 0.0 110.668 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -54.84 -54.39 43.01 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.328 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.86 -50.0 69.74 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.597 1.544 . . . . 0.0 113.88 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.35 -43.01 99.82 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.21 -37.9 88.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.969 1.308 . . . . 0.0 111.266 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.421 ' CG2' HG22 ' A' ' 25' ' ' THR . 58.4 mt -70.05 -43.71 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.793 1.637 . . . . 0.0 111.382 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.34 82.78 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 119.57 -1.956 . . . . 0.0 112.833 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -37.64 67.26 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.689 1.196 . . . . 0.0 112.247 169.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 19' ' ' LEU . 15.7 mt -60.36 -42.91 96.74 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.7 mtp -59.95 -37.18 78.8 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.829 -0.544 . . . . 0.0 112.388 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 m -60.4 -37.76 81.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -72.32 -29.13 63.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 173.041 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.83 96.22 1.55 Allowed Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 14' ' ' LEU . 62.0 mt -144.45 175.57 10.02 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.973 1.709 . . . . 0.0 113.422 173.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 m -64.59 -154.54 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 126.983 2.113 . . . . 0.0 113.428 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 25' ' ' THR . 35.2 mt -112.75 -100.59 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 119.981 -1.699 . . . . 0.0 108.987 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.12 70.78 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 120.333 1.424 . . . . 0.0 112.901 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.08 -46.55 50.92 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.511 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.33 63.09 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 171.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' ILE . 5.0 p -68.25 -41.31 81.33 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.98 1.371 . . . . 0.0 110.576 -178.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -35.27 73.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.048 173.58 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -72.37 -52.31 16.62 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 120.812 1.642 . . . . 0.0 106.97 -175.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -38.63 -46.97 1.27 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 168.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -22.13 46.42 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.04 -38.85 17.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.153 0.981 . . . . 0.0 112.873 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -71.52 0.18 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 127.293 2.237 . . . . 0.0 107.014 174.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.885 HG13 ' H ' ' A' ' 33' ' ' THR . 2.4 p -164.3 -77.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.327 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 171.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.885 ' H ' HG13 ' A' ' 32' ' ' VAL . 67.2 p -160.41 -51.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.079 2.152 . . . . 0.0 110.294 -167.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CE1' HD12 ' A' ' 17' ' ' LEU . 78.5 t80 176.68 -70.35 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.918 2.487 . . . . 0.0 108.316 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.21 -39.44 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -172.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.796 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.2 ttt180 -68.13 -48.19 66.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.397 0.279 . . . . 0.0 111.198 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -67.36 -47.21 71.1 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 117.625 -1.178 . . . . 0.0 109.518 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 17' ' ' LEU . 5.0 tt -42.19 -53.65 3.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.257 1.423 . . . . 0.0 110.891 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.23 -40.6 82.15 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.961 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.8 mt -73.03 -49.21 40.5 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 125.445 1.498 . . . . 0.0 111.928 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.71 -45.83 81.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.297 2.639 . . . . 0.0 112.563 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -57.06 -35.06 68.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.587 1.155 . . . . 0.0 112.974 168.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -60.38 -47.86 84.23 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.171 169.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -71.67 -171.92 0.73 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.57 1.948 . . . . 0.0 114.169 169.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.9 126.42 30.39 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.734 -1.229 . . . . 0.0 112.092 169.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -104.39 -175.71 2.87 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.65 1.98 . . . . 0.0 111.666 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 N--CA 1.483 1.196 0 C-N-CA 125.22 1.408 . . . . 0.0 114.493 174.031 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 113.502 0.927 . . . . 0.01 113.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.3 mt 61.11 76.04 0.39 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.966 1.706 . . . . 0.0 113.975 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.73 -6.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 175.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -105.47 -50.94 3.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.641 1.577 . . . . 0.0 112.334 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.69 -39.4 84.42 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.379 1.072 . . . . 0.0 113.19 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 p -62.52 -41.35 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.315 0.646 . . . . 0.0 111.16 171.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -61.9 -45.73 92.48 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 123.187 0.595 . . . . 0.0 109.634 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.21 -40.69 98.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.619 0.645 . . . . 0.0 111.888 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.79 -57.31 9.25 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.547 -1.346 . . . . 0.0 114.172 172.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -28.61 6.1 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 171.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.2 mt -72.68 -45.18 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.39 82.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.126 -1.608 . . . . 0.0 111.813 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -54.33 -44.42 72.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.76 1.224 . . . . 0.0 111.943 169.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 19' ' ' LEU . 15.2 mt -58.69 -35.88 73.32 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -35.56 77.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.191 -0.913 . . . . 0.0 113.198 173.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -43.52 90.13 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 119.035 0.834 . . . . 0.0 112.123 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 38' ' ' LEU . 6.0 mp -77.01 -3.88 41.29 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.062 1.345 . . . . 0.0 113.895 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.49 85.66 0.15 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.351 1.453 . . . . 0.0 112.02 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 14' ' ' LEU . 77.1 mt -135.6 166.98 21.96 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 126.03 1.732 . . . . 0.0 109.237 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -64.47 -164.62 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.926 1.691 . . . . 0.0 113.97 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.651 HG23 ' H ' ' A' ' 22' ' ' GLU . 21.2 tt -87.08 -107.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 119.97 -1.706 . . . . 0.0 115.587 165.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.651 ' H ' HG23 ' A' ' 21' ' ' ILE . 5.0 pt-20 -47.13 -47.6 23.45 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 127.19 2.196 . . . . 0.0 112.796 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.16 -43.95 98.08 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 113.235 -1.802 . . . . 0.0 110.829 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.75 82.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.178 0.899 . . . . 0.0 112.081 168.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.4 p -62.68 -51.11 68.49 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.544 1.066 . . . . 0.0 112.371 -174.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.58 -40.81 96.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.633 -1.292 . . . . 0.0 111.487 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -60.38 -41.46 93.81 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.051 0.844 . . . . 0.0 112.576 175.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' CB ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -60.61 -48.54 81.31 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.069 2.148 . . . . 0.0 112.944 176.847 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -43.47 53.53 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.696 1.199 . . . . 0.0 110.833 -174.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.15 -59.61 4.69 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.794 0.838 . . . . 0.0 109.636 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.67 -38.85 49.0 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 115.475 -2.203 . . . . 0.0 115.509 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.936 HG13 ' H ' ' A' ' 33' ' ' THR . 5.6 p 162.51 -95.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.936 ' H ' HG13 ' A' ' 32' ' ' VAL . 89.9 m -158.97 -94.7 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 130.17 3.388 . . . . 0.0 105.881 -167.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 45.1 t80 -137.82 -64.1 0.55 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.311 -2.118 . . . . 0.0 114.858 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.78 -43.16 97.18 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 119.756 1.162 . . . . 0.0 111.81 -170.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.643 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -50.39 -48.67 55.88 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 171.163 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' OH ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.59 -39.02 77.53 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 118.767 0.712 . . . . 0.0 110.341 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 17' ' ' LEU . 2.0 tm? -60.01 -50.51 73.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.07 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.01 -50.15 73.61 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.991 1.268 . . . . 0.0 112.454 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.32 -48.89 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 O-C-N 123.783 0.677 . . . . 0.0 111.175 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.44 -32.31 66.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.537 1.935 . . . . 0.0 114.187 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.613 ' HE3' HD21 ' A' ' 38' ' ' LEU . 60.4 mttt -62.17 -47.97 82.14 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.077 1.308 . . . . 0.0 110.244 170.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.58 -38.89 60.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.45 0.7 . . . . 0.0 112.421 173.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -76.94 -32.88 57.65 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -159.06 105.73 1.76 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.912 2.085 . . . . 0.0 111.191 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -74.72 110.8 9.31 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 121.473 -0.767 . . . . 0.0 110.811 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 126.531 1.932 . . . . 0.0 111.59 -179.805 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 114.223 1.194 . . . . 0.01 114.223 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 mt 50.64 26.58 2.53 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 120.171 -1.581 . . . . 0.0 114.637 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.78 146.16 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.256 1.022 . . . . 0.0 112.678 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -129.1 -47.38 1.22 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.982 1.313 . . . . 0.0 112.859 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -65.23 -36.99 85.87 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.9 t -59.35 -47.5 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 122.992 0.517 . . . . 0.0 110.646 172.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -54.67 44.29 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.378 176.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.65 -31.36 66.23 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.5 mtt -75.24 -46.91 30.8 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.1 85.07 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.434 -0.791 . . . . 0.0 112.093 173.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 25' ' ' THR . 61.8 mt -60.59 -46.76 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 124.833 1.253 . . . . 0.0 111.069 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.12 86.3 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.384 -1.447 . . . . 0.0 113.104 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -37.12 51.01 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 121.238 -0.914 . . . . 0.0 112.439 170.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.537 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.8 mt -64.6 -42.77 95.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -59.93 -23.24 63.37 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 172.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -24.5 54.32 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 171.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD11 HD12 ' A' ' 38' ' ' LEU . 2.7 mt -85.1 -26.39 26.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.63 1.172 . . . . 0.0 113.772 171.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.7 72.02 0.94 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.122 0.867 . . . . 0.0 112.691 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 14' ' ' LEU . 48.3 mt -119.77 -162.56 0.93 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.524 1.53 . . . . 0.0 111.382 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.435 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 20.2 m -87.13 -110.99 0.06 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.715 2.006 . . . . 0.0 113.978 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.723 HG23 ' H ' ' A' ' 22' ' ' GLU . 13.1 tt -152.57 -100.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 C-N-CA 127.889 2.476 . . . . 0.0 113.199 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.723 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.6 mt-10 -65.12 -48.56 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.697 -1.877 . . . . 0.0 111.718 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -39.52 72.2 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.909 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HB2' ' H ' ' A' ' 20' ' ' SER . . . -62.64 -40.51 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 171.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 11' ' ' ILE . 95.7 m -59.85 -52.1 66.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 111.842 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.56 -35.18 78.66 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.971 -1.081 . . . . 0.0 113.529 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -65.3 -46.7 79.33 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.031 0.532 . . . . 0.0 112.019 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -47.83 65.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.497 2.319 . . . . 0.0 113.824 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.84 -39.76 50.11 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 -178.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.68 -56.21 23.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.642 0.377 . . . . 0.0 110.432 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.74 -56.53 14.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 117.193 -1.384 . . . . 0.0 114.623 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.92 HG13 ' H ' ' A' ' 33' ' ' THR . 7.4 p 177.62 -107.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 124.998 1.319 . . . . 0.0 112.953 -171.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.92 ' H ' HG13 ' A' ' 32' ' ' VAL . 24.5 m -143.9 -97.95 0.11 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 130.636 3.574 . . . . 0.0 105.121 -173.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.96 -66.12 0.76 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.53 -36.78 83.68 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.503 1.502 . . . . 0.0 114.024 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' HD3' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -59.08 -53.37 59.08 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.619 -0.675 . . . . 0.0 112.69 173.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -36.13 83.31 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.447 1.021 . . . . 0.0 111.258 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD12 HD11 ' A' ' 17' ' ' LEU . 1.4 tt -53.84 -41.08 67.03 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.243 0.929 . . . . 0.0 111.995 171.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.37 -46.8 53.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.755 0.707 . . . . 0.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.84 -47.99 89.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 124.153 0.981 . . . . 0.0 111.405 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.67 -27.93 61.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 113.068 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -68.14 -35.71 78.51 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.087 1.767 . . . . 0.0 111.485 169.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -68.85 -25.28 64.56 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 70.93 0.24 Allowed 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 119.721 1.146 . . . . 0.0 113.235 -176.54 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 174.84 6.69 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.139 1.376 . . . . 0.0 113.913 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -143.61 -48.96 0.3 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.986 1.314 . . . . 0.0 112.477 174.389 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.484 1.231 0 C-N-CA 126.917 2.087 . . . . 0.0 114.053 -176.265 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 118.665 -0.683 . . . . 0.01 110.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.87 85.56 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 171.281 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.2 t 55.72 31.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 125.644 1.578 . . . . 0.0 112.243 -171.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 47.71 92.62 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.148 2.179 . . . . 0.0 113.659 -169.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.25 -40.11 10.99 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.458 1.903 . . . . 0.0 114.084 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.5 t -58.14 -52.49 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.424 0.69 . . . . 0.0 111.372 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -55.88 -49.18 74.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.702 0.801 . . . . 0.0 110.527 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -42.91 95.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.151 1.381 . . . . 0.0 113.552 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 tpt -63.79 -48.04 78.51 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 112.621 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -38.1 84.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.966 0.906 . . . . 0.0 112.128 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mt -62.94 -40.12 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 120.81 -1.181 . . . . 0.0 111.307 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.14 72.79 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.973 -1.079 . . . . 0.0 111.98 174.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.12 -43.69 91.97 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.298 -0.876 . . . . 0.0 113.001 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -60.49 -37.94 82.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.591 1.087 . . . . 0.0 112.897 176.863 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.96 76.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.636 -0.665 . . . . 0.0 111.928 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -31.26 72.08 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.258 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.744 HD21 HD12 ' A' ' 38' ' ' LEU . 6.6 mp -83.18 -0.61 50.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 172.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.7 83.03 0.51 Allowed Glycine 0 CA--C 1.534 1.262 0 CA-C-N 121.012 1.733 . . . . 0.0 112.864 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.9 mt -143.13 174.28 10.83 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.396 1.478 . . . . 0.0 112.645 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 m -64.76 -166.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.674 1.989 . . . . 0.0 113.183 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 25' ' ' THR . 6.2 mt -102.53 -80.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 119.72 -1.862 . . . . 0.0 111.596 175.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -39.05 49.5 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.243 0.929 . . . . 0.0 111.843 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.1 -44.03 97.98 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.273 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.7 79.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.867 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.3 p -60.42 -39.59 88.0 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.484 1.493 . . . . 0.0 114.432 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.33 -40.48 64.43 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.471 -0.768 . . . . 0.0 111.337 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.91 -44.56 96.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.656 1.183 . . . . 0.0 112.308 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.5 -61.34 2.24 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.488 1.115 . . . . 0.0 110.959 171.762 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -24.22 67.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.99 -20.77 25.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -84.35 -51.27 7.1 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG13 ' H ' ' A' ' 33' ' ' THR . 15.0 p 176.4 -121.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 127.734 2.414 . . . . 0.0 116.699 -172.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.724 ' H ' HG13 ' A' ' 32' ' ' VAL . 32.0 m -129.06 -37.02 1.72 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 128.339 2.656 . . . . 0.0 113.287 -168.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.6 t80 166.82 -83.24 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.719 2.408 . . . . 0.0 111.171 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.87 -31.88 73.08 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.712 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.6 -51.0 67.18 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.702 174.179 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' CZ ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -37.91 86.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.611 1.096 . . . . 0.0 110.128 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.744 HD12 HD21 ' A' ' 17' ' ' LEU . 7.7 tt -51.32 -52.38 45.84 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.147 173.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.2 -42.5 91.06 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.97 -46.16 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.196 0.999 . . . . 0.0 111.936 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 45' ' ' GLN . 1.9 mm? -72.13 -38.65 69.21 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.031 2.132 . . . . 0.0 112.691 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -61.06 -37.06 81.3 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.886 -1.134 . . . . 0.0 111.545 169.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -58.5 7.83 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 170.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -157.2 121.58 4.35 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.624 1.57 . . . . 0.0 112.334 169.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.498 ' HA ' HD13 ' A' ' 41' ' ' LEU . 24.9 tt0 -78.26 -49.46 13.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.649 0.78 . . . . 0.0 112.67 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tttt 51.43 -157.16 0.12 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.194 1.397 . . . . 0.0 114.332 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.398 1.879 . . . . 0.0 112.881 177.996 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.092 -0.336 . . . . 0.01 110.092 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -42.01 94.98 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.616 0.644 . . . . 0.0 112.426 173.397 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -162.68 150.42 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.308 1.843 . . . . 0.0 110.123 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -115.75 -27.84 6.93 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.169 1.388 . . . . 0.0 113.441 172.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -63.32 -45.9 89.17 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.811 1.245 . . . . 0.0 113.734 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 t -56.46 -45.96 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.911 0.884 . . . . 0.0 110.481 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -58.85 -53.33 59.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.458 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -41.01 66.5 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.731 1.612 . . . . 0.0 114.307 175.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 ttt -69.48 -42.6 74.62 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -30.43 67.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.128 0.971 . . . . 0.0 112.783 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.552 HD11 HG23 ' A' ' 25' ' ' THR . 50.9 mt -64.9 -39.94 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 124.562 1.145 . . . . 0.0 111.274 172.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.33 88.95 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.731 -1.231 . . . . 0.0 112.131 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -55.5 -34.41 64.58 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.7 1.2 . . . . 0.0 113.446 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.38 -43.66 89.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.653 1.181 . . . . 0.0 112.39 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 tpp -58.97 -25.35 63.51 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.653 0.781 . . . . 0.0 112.669 173.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.97 -10.98 59.99 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 38' ' ' LEU . 25.2 mt -111.08 -3.85 15.31 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.67 1.588 . . . . 0.0 113.486 176.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.55 77.64 1.23 Allowed Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.024 0.821 . . . . 0.0 113.294 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -140.26 165.63 26.87 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.139 1.776 . . . . 0.0 113.955 -175.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -161.04 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.025 1.73 . . . . 0.0 112.568 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.77 -76.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 120.431 -1.418 . . . . 0.0 111.429 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.76 -44.13 17.43 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 118.776 0.716 . . . . 0.0 110.95 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.91 -45.84 89.36 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.38 69.31 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.821 170.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 11' ' ' ILE . 97.9 m -55.26 -47.68 75.09 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.872 1.215 . . . . 0.0 112.98 176.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.85 -51.31 59.9 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.796 -0.565 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.58 -48.81 63.03 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -58.45 4.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.931 1.292 . . . . 0.0 111.058 174.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.08 89.36 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -11.32 59.8 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.51 -42.08 8.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.52 1.128 . . . . 0.0 110.512 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG13 ' H ' ' A' ' 33' ' ' THR . 11.9 p 162.18 -125.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 127.89 3.244 . . . . 0.0 117.784 -172.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.719 ' H ' HG13 ' A' ' 32' ' ' VAL . 31.5 p -124.37 -40.01 2.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 128.353 2.661 . . . . 0.0 115.894 -169.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.1 t80 177.32 -69.73 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 123.68 2.946 . . . . 0.0 110.064 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -37.8 74.31 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.102 0.961 . . . . 0.0 112.67 -174.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.642 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.87 -44.51 96.67 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 118.855 -0.593 . . . . 0.0 112.595 174.2 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.9 -38.95 73.03 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.154 1.343 . . . . 0.0 110.263 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -49.7 -44.59 48.25 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.928 0.785 . . . . 0.0 111.014 175.55 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.79 -42.13 91.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 112.488 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.33 -48.15 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.274 1.029 . . . . 0.0 112.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.11 -45.73 91.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.871 2.069 . . . . 0.0 112.541 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -36.89 74.47 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.167 0.587 . . . . 0.0 111.677 174.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -19.14 60.71 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -83.19 -58.22 2.94 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.527 1.131 . . . . 0.0 111.477 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -171.41 -51.29 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.622 1.969 . . . . 0.0 112.365 169.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt 49.17 89.84 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 127.084 2.154 . . . . 0.0 115.037 -172.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 N--CA 1.486 1.344 0 C-N-CA 125.27 1.428 . . . . 0.0 112.514 176.892 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' HG21 ' A' ' 6' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 119.669 -0.205 . . . . 0.01 110.776 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 mt -133.3 32.62 3.66 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 126.606 1.962 . . . . 0.0 112.183 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.8 m -62.62 174.41 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 126.673 1.989 . . . . 0.0 113.428 175.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -41.76 56.96 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 176.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.82 -39.19 84.22 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.195 0.998 . . . . 0.0 113.478 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 1' ' ' ALA . 44.5 t -63.74 -45.73 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.964 173.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -54.3 46.09 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.766 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.45 -43.52 71.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.195 1.362 . . . . 0.0 114.007 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -52.16 64.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.487 0.715 . . . . 0.0 112.819 174.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -36.86 78.99 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.095 0.958 . . . . 0.0 112.41 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 25' ' ' THR . 54.7 mt -64.12 -44.91 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.768 1.627 . . . . 0.0 111.327 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.14 -37.44 72.02 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.976 -1.077 . . . . 0.0 112.108 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.95 75.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.827 0.851 . . . . 0.0 112.779 171.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 19' ' ' LEU . 16.2 mt -59.19 -43.97 92.21 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.176 -0.953 . . . . 0.0 112.417 173.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ttt -60.1 -28.24 67.67 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -60.96 -52.3 65.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.841 1.201 . . . . 0.0 111.884 169.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 38' ' ' LEU . 1.1 mt -58.29 -35.41 71.77 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 170.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.85 79.33 1.33 Allowed Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.76 1.171 . . . . 0.0 111.367 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 14' ' ' LEU . 44.8 mt -134.24 169.62 16.93 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-N 120.232 2.016 . . . . 0.0 110.087 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -55.67 -159.29 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 126.086 1.754 . . . . 0.0 113.728 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.9 mt -108.8 -97.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.329 -2.107 . . . . 0.0 109.364 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.11 -28.6 67.47 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.665 1.586 . . . . 0.0 112.911 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -49.2 43.57 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.966 -1.47 . . . . 0.0 112.175 171.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.95 76.36 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 120.962 1.71 . . . . 0.0 113.374 168.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 11' ' ' ILE . 90.1 m -48.18 -50.35 29.35 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.359 1.436 . . . . 0.0 113.492 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -73.86 -26.04 60.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -69.21 -61.4 1.81 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.495 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.83 -63.01 0.28 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.423 2.289 . . . . 0.0 113.92 169.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -34.23 77.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.96 -43.54 65.02 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.598 1.19 . . . . 0.0 113.595 169.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.288 0.6 OUTLIER -53.91 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 111.819 -2.446 . . . . 0.0 109.132 175.276 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.84 HG22 ' H ' ' A' ' 33' ' ' THR . 6.7 p 173.9 -132.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 C-N-CA 127.873 2.469 . . . . 0.0 108.355 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.84 ' H ' HG22 ' A' ' 32' ' ' VAL . 41.0 p -92.32 -57.75 2.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.523 2.729 . . . . 0.0 117.115 171.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' CE1' HD12 ' A' ' 17' ' ' LEU . 25.3 t80 179.96 -48.6 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.589 2 CA-C-N 127.178 4.535 . . . . 0.0 108.961 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.32 -35.94 61.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 126.336 1.854 . . . . 0.0 114.482 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.636 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -68.94 -49.13 60.72 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.675 -0.641 . . . . 0.0 110.998 174.476 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -43.37 86.83 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.578 -1.326 . . . . 0.0 110.154 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 17' ' ' LEU . 3.5 tt -44.86 -43.12 8.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 124.034 0.833 . . . . 0.0 109.87 172.492 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.63 -38.96 77.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -73.35 -50.08 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 119.754 1.161 . . . . 0.0 111.772 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.07 -45.99 86.28 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.721 2.408 . . . . 0.0 111.752 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -56.51 -35.01 67.55 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 122.205 -0.309 . . . . 0.0 111.729 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -73.39 -41.2 63.64 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 169.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.53 99.56 2.54 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.046 1.738 . . . . 0.0 113.192 177.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -116.94 126.85 53.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.055 1.342 . . . . 0.0 111.263 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -152.84 -53.99 0.11 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.091 0.956 . . . . 0.0 113.309 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.746 1.619 . . . . 0.0 111.878 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.796 -0.075 . . . . 0.01 110.796 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.08 -32.19 0.09 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.365 1.466 . . . . 0.0 113.323 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.51 80.67 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 126.44 1.896 . . . . 0.0 112.105 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -162.14 -45.58 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.077 2.151 . . . . 0.0 111.529 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.93 -43.04 99.66 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.041 0.937 . . . . 0.0 113.179 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.33 -48.61 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.972 0.909 . . . . 0.0 110.945 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -55.43 -47.76 75.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.204 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -37.64 84.38 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.121 0.969 . . . . 0.0 113.091 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -54.48 13.11 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.325 1.05 . . . . 0.0 113.088 177.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -53.02 -45.21 67.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.841 -1.162 . . . . 0.0 112.448 170.673 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.7 mt -54.5 -41.24 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.942 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.55 -34.97 78.97 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.542 -1.349 . . . . 0.0 113.033 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -60.69 -37.11 80.55 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.852 -1.155 . . . . 0.0 113.867 171.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -68.44 -30.74 69.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.213 1.005 . . . . 0.0 112.668 173.605 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ttt -66.4 -40.3 89.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.397 171.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -45.93 82.97 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.501 HD12 ' OH ' ' A' ' 37' ' ' TYR . 23.3 mt -69.22 -32.16 71.22 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.807 -1.183 . . . . 0.0 113.363 170.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.75 86.33 1.89 Allowed Glycine 0 N--CA 1.47 0.94 0 C-N-CA 125.86 1.695 . . . . 0.0 113.346 170.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.6 -160.12 0.87 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 126.344 1.858 . . . . 0.0 110.633 -176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -72.85 -131.33 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.56 1.544 . . . . 0.0 113.961 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 mp -138.47 -107.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 128.153 2.581 . . . . 0.0 107.27 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -19.48 40.51 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 122.18 2.264 . . . . 0.0 116.458 177.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.93 -36.29 18.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 112.688 -2.051 . . . . 0.0 113.714 169.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.8 92.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.137 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -60.57 -55.82 28.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.76 1.618 . . . . 0.0 112.758 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -27.71 67.68 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -74.38 -35.08 63.5 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -52.26 61.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.166 1.387 . . . . 0.0 112.392 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.0 -52.78 54.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.875 0.87 . . . . 0.0 111.235 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -54.54 -46.35 73.59 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.587 0.554 . . . . 0.0 110.559 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.81 -41.76 98.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 115.597 -2.144 . . . . 0.0 114.672 174.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 ' H ' ' A' ' 33' ' ' THR . 4.3 p 169.24 -93.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 122.437 2.38 . . . . 0.0 113.639 -173.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.922 ' H ' HG13 ' A' ' 32' ' ' VAL . 73.3 m -162.93 -78.67 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 129.464 3.106 . . . . 0.0 108.363 -168.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -147.39 -67.87 0.25 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.27 -39.67 92.89 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.652 1.569 . . . . 0.0 113.628 -170.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.6 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -50.07 -54.22 21.87 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 169.514 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.501 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.61 -38.3 89.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.753 -179.188 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.46 HD23 ' C ' ' A' ' 38' ' ' LEU . 2.2 tt -59.37 -47.0 87.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.023 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -59.51 -55.19 37.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.616 1.166 . . . . 0.0 112.277 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.07 -46.28 77.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.681 0.792 . . . . 0.0 112.223 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.14 -42.8 93.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.886 1.274 . . . . 0.0 112.921 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -57.79 -44.47 86.31 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.084 0.553 . . . . 0.0 110.736 176.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -35.65 65.64 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 169.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -115.25 55.37 0.77 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.038 1.335 . . . . 0.0 113.973 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -79.89 150.66 30.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.992 1.317 . . . . 0.0 113.678 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.98 108.3 3.43 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.225 1.41 . . . . 0.0 110.438 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 N--CA 1.483 1.203 0 C-N-CA 126.655 1.982 . . . . 0.0 112.865 -175.305 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -54.27 -51.43 64.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.931 0.493 . . . . 0.0 109.95 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.23 -41.98 94.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.871 1.268 . . . . 0.0 113.974 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.3 ttm -63.08 -47.19 83.95 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.25 1.02 . . . . 0.0 113.005 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.53 -31.93 73.35 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.969 1.307 . . . . 0.0 111.585 176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.41 -41.25 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.411 1.084 . . . . 0.0 111.648 171.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.98 73.84 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.12 -1.612 . . . . 0.0 112.035 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -57.51 -37.7 73.43 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.041 0.936 . . . . 0.0 112.435 169.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.865 HD21 ' HB2' ' A' ' 28' ' ' TYR . 21.5 mt -58.58 -46.78 86.22 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -34.41 73.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 m -64.87 -37.13 86.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 38' ' ' LEU . 28.5 mt -79.06 -29.14 43.31 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.97 95.81 2.14 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -144.33 179.9 6.95 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.735 1.214 . . . . 0.0 111.75 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -65.74 -162.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.741 1.617 . . . . 0.0 112.896 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mt -105.9 -98.94 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 120.264 -1.522 . . . . 0.0 108.588 171.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.13 -43.86 95.37 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.74 -43.0 94.41 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 170.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.79 65.74 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.167 -0.92 . . . . 0.0 111.861 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -59.41 -54.98 40.41 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.009 1.277 . . . . 0.0 112.229 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -46.43 69.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.367 -0.833 . . . . 0.0 112.639 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -56.82 -51.27 69.65 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.18 0.992 . . . . 0.0 112.822 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.865 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -46.22 -55.69 6.78 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 111.516 175.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -33.14 74.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.138 1.375 . . . . 0.0 114.369 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -78.07 -24.95 47.47 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.73 -32.14 20.59 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.881 1.273 . . . . 0.0 112.318 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.772 HG13 ' H ' ' A' ' 33' ' ' THR . 12.9 p 157.3 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 130.552 3.541 . . . . 0.0 117.901 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.772 ' H ' HG13 ' A' ' 32' ' ' VAL . 25.4 p -128.35 -42.02 1.52 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 129.338 3.055 . . . . 0.0 113.651 -169.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 43.8 t80 178.0 -81.87 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.402 2.281 . . . . 0.0 111.377 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.88 -35.05 72.36 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.67 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.17 -40.54 94.45 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.55 0.74 . . . . 0.0 112.983 174.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -73.14 -38.84 66.13 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 120.051 1.296 . . . . 0.0 109.807 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 17' ' ' LEU . 2.6 tt -51.72 -48.4 63.62 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.826 0.85 . . . . 0.0 110.148 176.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.43 -42.8 96.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.265 1.026 . . . . 0.0 112.757 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.57 -43.57 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.383 1.073 . . . . 0.0 112.374 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.46 -39.1 91.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.748 1.619 . . . . 0.0 111.912 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 172.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.131 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -53.51 55.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.606 0.639 . . . . 0.0 111.194 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -49.96 70.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.691 1.132 . . . . 0.0 112.76 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ttm -57.33 -39.15 75.29 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -35.93 61.27 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.81 0.844 . . . . 0.0 112.039 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 44.2 mt -69.13 -42.81 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 119.962 -1.711 . . . . 0.0 110.992 176.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.61 -33.59 55.51 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.049 -1.032 . . . . 0.0 112.588 169.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.26 -36.59 80.44 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.9 mp -63.48 -47.5 81.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.344 0.975 . . . . 0.0 112.788 169.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -46.41 66.8 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.208 1.822 . . . . 0.0 113.906 172.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -54.55 -32.83 59.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.445 HD11 HD12 ' A' ' 38' ' ' LEU . 14.2 mt -86.95 -22.08 25.83 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 58.25 0.73 Allowed Glycine 0 CA--C 1.537 1.416 0 CA-C-N 121.53 1.968 . . . . 0.0 114.236 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mt -127.25 175.11 8.41 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.981 1.712 . . . . 0.0 112.358 -175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -60.46 -157.91 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 127.568 2.347 . . . . 0.0 114.81 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' THR . 2.6 mt -115.19 -94.18 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 120.172 -1.58 . . . . 0.0 109.133 176.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.89 -30.61 69.14 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.662 1.185 . . . . 0.0 112.635 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.89 -50.54 48.73 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.931 171.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.46 -50.73 59.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.999 1.272 . . . . 0.0 113.346 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.6 p -53.56 -40.4 65.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.399 0.999 . . . . 0.0 113.497 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.83 -28.05 58.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 173.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.29 -58.57 3.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 119.043 0.838 . . . . 0.0 109.388 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.708 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.14 -59.61 0.99 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.754 1.622 . . . . 0.0 113.068 169.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -29.36 69.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.38 -36.71 24.12 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -73.92 0.09 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 126.354 1.862 . . . . 0.0 107.953 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.889 HG13 ' H ' ' A' ' 33' ' ' THR . 5.3 p -164.33 -78.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 117.195 2.294 . . . . 0.0 117.195 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.889 ' H ' HG13 ' A' ' 32' ' ' VAL . 46.0 p -161.0 -58.26 0.05 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.475 2.71 . . . . 0.0 109.382 -168.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 6.7 t80 -179.72 -63.85 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 O-C-N 118.876 -2.39 . . . . 0.0 109.477 169.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.14 -32.09 72.64 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 113.221 -1.809 . . . . 0.0 111.765 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.692 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -71.19 -44.63 65.06 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.166 170.098 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -69.17 -43.78 73.53 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 123.105 2.684 . . . . 0.0 110.518 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 17' ' ' LEU . 6.3 tt -46.2 -44.94 16.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.201 0.909 . . . . 0.0 111.618 169.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.37 -46.48 90.01 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 171.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.12 -50.94 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 O-C-N 120.851 -1.156 . . . . 0.0 111.993 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.96 -56.02 26.07 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 128.334 2.654 . . . . 0.0 111.904 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.5 tttt . . . . . 0 N--CA 1.488 1.457 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 173.17 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.521 -0.276 . . . . 0.0 110.674 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -45.61 93.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.957 0.903 . . . . 0.0 111.45 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -42.82 90.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 112.952 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.0 mtt -63.1 -44.64 95.12 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 171.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.15 -31.33 68.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.094 -1.004 . . . . 0.0 112.616 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -63.38 -44.79 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.564 1.075 . . . . 0.0 111.419 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.34 73.13 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.288 -0.882 . . . . 0.0 112.698 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.97 -40.25 80.16 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.057 -1.027 . . . . 0.0 113.616 171.549 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 19' ' ' LEU . 17.7 mt -60.24 -39.82 88.05 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 112.061 174.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.314 1.046 . . . . 0.0 113.396 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -58.5 3.69 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 118.617 0.644 . . . . 0.0 110.758 169.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.52 -32.67 65.3 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.06 83.76 1.73 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.14 1.352 . . . . 0.0 114.093 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 14' ' ' LEU . 58.7 mt -120.46 -158.28 0.74 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.943 1.297 . . . . 0.0 111.509 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 m -89.38 -147.28 0.17 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 124.125 0.97 . . . . 0.0 110.643 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 mt -113.38 -95.27 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 124.975 1.31 . . . . 0.0 110.313 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -46.46 88.34 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.34 1.056 . . . . 0.0 110.668 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.06 -37.9 72.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 168.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.83 80.01 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 121.761 2.073 . . . . 0.0 111.572 173.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -55.85 -47.46 77.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.779 0.718 . . . . 0.0 112.875 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.01 -23.9 63.21 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.95 -1.094 . . . . 0.0 113.666 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -74.28 -52.12 13.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 118.657 0.662 . . . . 0.0 109.673 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.95 -47.49 5.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.843 2.057 . . . . 0.0 115.173 171.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.07 -39.75 60.64 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -74.75 -2.88 28.45 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.7 -69.0 0.77 Allowed 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 33' ' ' THR . 5.8 p 178.6 -122.26 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-N 120.237 1.38 . . . . 0.0 107.614 -176.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.689 ' H ' HG22 ' A' ' 32' ' ' VAL . 28.1 m -102.75 -74.08 0.64 Allowed 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 127.697 2.399 . . . . 0.0 114.571 168.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 22.7 t80 -163.47 -51.77 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.691 1 CA-C-N 126.084 4.038 . . . . 0.0 107.928 -169.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.74 -36.4 28.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 125.654 1.582 . . . . 0.0 113.821 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.571 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -60.54 -52.03 66.93 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.826 0.45 . . . . 0.0 111.082 171.134 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -41.58 89.6 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.055 -1.028 . . . . 0.0 110.796 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.445 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.4 tt -47.42 -45.31 25.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.663 0.602 . . . . 0.0 110.998 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -68.39 -44.57 74.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.651 1.18 . . . . 0.0 113.974 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.62 -49.82 71.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.064 0.945 . . . . 0.0 111.417 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.1 -38.64 87.02 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.422 1.889 . . . . 0.0 111.74 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mttp . . . . . 0 N--CA 1.478 0.95 0 CA-C-N 118.93 0.786 . . . . 0.0 112.436 170.576 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.9 t . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.178 -0.439 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -57.76 -46.67 84.19 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.308 0.504 . . . . 0.0 111.072 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.15 -39.57 93.16 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.815 1.246 . . . . 0.0 113.768 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.54 -52.91 40.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.613 -0.679 . . . . 0.0 112.074 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.69 -42.02 74.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.213 0.605 . . . . 0.0 111.956 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.452 HG23 HG22 ' A' ' 25' ' ' THR . 44.7 mt -59.85 -45.78 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.697 1.199 . . . . 0.0 112.361 174.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.67 70.78 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.911 -1.118 . . . . 0.0 112.261 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -44.0 95.34 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.928 1.291 . . . . 0.0 113.348 170.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -40.31 93.56 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.211 1.369 . . . . 0.0 112.496 172.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -26.14 64.6 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 172.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -74.23 -50.75 17.75 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.188 0.903 . . . . 0.0 111.731 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.427 HD22 ' OH ' ' A' ' 37' ' ' TYR . 7.8 mp -54.61 -21.79 11.52 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 116.083 1.882 . . . . 0.0 116.083 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.05 45.96 2.13 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-N 119.577 1.08 . . . . 0.0 114.205 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.6 -166.09 1.25 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.471 1.508 . . . . 0.0 112.125 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -79.66 -151.23 0.06 Allowed 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 124.625 1.17 . . . . 0.0 111.483 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.648 HG23 ' H ' ' A' ' 22' ' ' GLU . 16.2 tt -108.66 -83.67 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 120.749 -1.219 . . . . 0.0 113.337 172.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.648 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 mt-10 -76.71 -47.73 21.01 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.85 0.75 . . . . 0.0 110.597 -173.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -52.16 -41.37 62.53 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.493 1.117 . . . . 0.0 112.062 169.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.87 75.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.835 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 21' ' ' ILE . 10.0 p -60.94 -40.15 92.19 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.47 -54.56 13.68 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 121.089 -1.007 . . . . 0.0 109.563 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.58 -37.64 63.14 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.85 1.66 . . . . 0.0 114.498 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -64.29 0.86 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 110.371 170.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.95 -33.01 71.35 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -36.06 62.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.971 -171.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.96 -48.43 16.28 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.916 1.689 . . . . 0.0 112.992 169.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 33' ' ' THR . 4.4 p -175.67 -137.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -168.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.618 ' N ' HG13 ' A' ' 32' ' ' VAL . 17.7 p -108.59 -69.94 0.83 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 129.717 3.207 . . . . 0.0 113.641 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -164.77 -55.86 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 O-C-N 117.856 -3.028 . . . . 0.0 107.718 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.18 -34.56 25.94 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.487 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.58 -49.92 74.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.229 0.612 . . . . 0.0 112.187 171.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -69.94 -39.75 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.091 1.314 . . . . 0.0 109.888 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 17' ' ' LEU . 7.0 tt -49.97 -45.83 51.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -64.57 -47.31 79.18 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.041 0.937 . . . . 0.0 112.997 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.2 mt -62.91 -54.54 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 119.033 0.833 . . . . 0.0 111.569 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.9 -44.22 94.39 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.292 2.237 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 tttp . . . . . 0 CA--C 1.55 0.953 0 C-N-CA 123.38 0.672 . . . . 0.0 112.098 173.359 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 119.694 -0.193 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -60.08 -49.14 78.84 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.85 -0.595 . . . . 0.0 110.878 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -39.31 72.82 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.844 1.202 . . . . 0.0 114.188 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -49.85 60.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -29.96 70.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.073 0.949 . . . . 0.0 112.456 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.67 -36.46 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 125.198 1.399 . . . . 0.0 111.804 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.21 86.2 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.73 -1.231 . . . . 0.0 111.692 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -38.67 60.3 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.839 0.856 . . . . 0.0 111.835 169.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HB3' HD12 ' A' ' 19' ' ' LEU . 16.8 mt -63.74 -44.64 92.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.892 -1.13 . . . . 0.0 112.979 177.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -57.04 -19.66 20.07 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.718 1.207 . . . . 0.0 113.227 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -78.04 -32.29 50.88 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.5 -44.78 27.62 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.918 1.69 . . . . 0.0 111.166 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.52 99.88 2.39 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.167 1.365 . . . . 0.0 113.442 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 14' ' ' LEU . 80.9 mt -136.02 -159.64 0.98 Allowed 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 126.623 1.969 . . . . 0.0 113.357 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -93.03 -138.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 128.239 2.616 . . . . 0.0 112.693 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mt -120.03 -97.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.78 1.632 . . . . 0.0 108.724 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.06 -17.09 64.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.268 -1.52 . . . . 0.0 113.543 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -81.25 -38.9 26.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.438 170.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.28 87.01 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.997 1.726 . . . . 0.0 113.589 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -69.13 -49.73 54.38 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.514 0.597 . . . . 0.0 110.855 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.47 -21.91 66.81 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.889 -1.132 . . . . 0.0 113.231 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.39 -46.1 18.23 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.797 1.18 . . . . 0.0 110.297 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -49.82 23.79 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.399 1.48 . . . . 0.0 114.284 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.48 -47.97 62.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.12 -1.46 7.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.27 -66.27 0.92 Allowed 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 170.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.896 HG13 ' H ' ' A' ' 33' ' ' THR . 4.6 p -170.26 -102.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 CA-C-N 120.904 1.684 . . . . 0.0 109.218 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.896 ' H ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -133.43 -50.49 0.86 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.323 2.649 . . . . 0.0 115.39 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -175.99 -78.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.032 -2.293 . . . . 0.0 109.461 -172.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.31 -32.18 72.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.558 -1.339 . . . . 0.0 113.539 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.715 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -62.84 -46.49 87.65 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 119.149 -0.453 . . . . 0.0 111.885 176.081 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.45 -35.76 65.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.802 1.183 . . . . 0.0 110.97 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.07 -45.31 68.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.54 0.609 . . . . 0.0 110.544 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -48.42 71.66 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.022 0.828 . . . . 0.0 111.567 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.11 -50.79 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.188 0.995 . . . . 0.0 112.406 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.74 -32.76 70.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.794 1.638 . . . . 0.0 113.511 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 tttt . . . . . 0 CA--C 1.542 0.665 0 O-C-N 121.492 -0.755 . . . . 0.0 111.453 174.02 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.572 -0.159 . . . . 0.0 110.572 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -58.41 -46.41 86.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.125 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -43.62 96.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.473 1.488 . . . . 0.0 111.78 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -61.36 2.59 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.536 0.735 . . . . 0.0 112.882 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.85 -36.23 26.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.071 0.948 . . . . 0.0 112.601 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.446 ' HA ' HD13 ' A' ' 14' ' ' LEU . 43.5 mt -72.18 -43.52 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.174 1.389 . . . . 0.0 111.365 175.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.41 68.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 119.235 -2.166 . . . . 0.0 112.2 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.449 HH11 ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.35 -36.92 76.6 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 121.377 -0.827 . . . . 0.0 112.612 169.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.8 mp -65.03 -38.24 90.23 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 168.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.0 ttm -62.69 -37.36 86.15 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.231 -0.918 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -56.83 15.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.838 0.855 . . . . 0.0 112.281 172.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.537 HD11 HD12 ' A' ' 38' ' ' LEU . 68.4 mt -58.76 -21.08 54.77 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.38 87.8 1.18 Allowed Glycine 0 C--N 1.34 0.78 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 HD23 ' A' ' 14' ' ' LEU . 51.5 mt -137.81 -179.05 5.53 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.44 0.696 . . . . 0.0 111.519 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -58.94 -157.35 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.584 1.954 . . . . 0.0 114.509 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.758 HG23 ' H ' ' A' ' 22' ' ' GLU . 10.0 tt -116.77 -97.55 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.758 ' H ' HG23 ' A' ' 21' ' ' ILE . 6.2 tt0 -67.12 -27.01 66.97 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.203 1.801 . . . . 0.0 113.759 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -73.71 -40.98 63.2 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.344 173.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.34 -50.64 69.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.412 1.005 . . . . 0.0 111.237 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.8 p -54.26 -45.66 72.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.96 0.886 . . . . 0.0 112.273 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -38.62 87.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.63 0.772 . . . . 0.0 112.803 175.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -68.1 -50.86 52.24 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 119.957 1.253 . . . . 0.0 111.671 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.754 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -44.4 -47.49 9.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.652 1.181 . . . . 0.0 113.937 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.25 -32.62 63.03 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.1 -25.25 47.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.57 -76.9 0.18 Allowed 'General case' 0 C--O 1.231 0.122 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 ' H ' ' A' ' 33' ' ' THR . 7.5 p -157.08 -95.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.922 ' H ' HG13 ' A' ' 32' ' ' VAL . 41.7 m -149.05 -39.08 0.16 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.096 2.558 . . . . 0.0 112.318 -169.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 51.8 t80 171.05 -87.71 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.949 2.499 . . . . 0.0 113.57 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.74 -39.27 76.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 120.164 1.347 . . . . 0.0 113.47 -173.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.609 ' CB ' HG11 ' A' ' 32' ' ' VAL . 1.3 mtt-85 -56.43 -47.97 77.97 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.093 171.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.52 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.94 -36.76 72.75 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.075 1.761 . . . . 0.0 110.618 178.082 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.537 HD12 HD11 ' A' ' 17' ' ' LEU . 1.9 tt -55.21 -52.51 63.11 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.841 1.2 . . . . 0.0 110.54 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.5 -42.39 78.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.036 1.334 . . . . 0.0 113.158 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.94 -43.44 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.638 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -46.37 65.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.148 1.779 . . . . 0.0 112.168 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mttt . . . . . 0 CA--C 1.546 0.794 0 C-N-CA 124.46 1.104 . . . . 0.0 111.964 172.337 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 121.115 0.483 . . . . 0.0 111.769 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -63.45 -47.05 83.47 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.816 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.51 -44.2 68.92 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.891 1.223 . . . . 0.0 113.449 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.9 mtt -58.91 -47.49 84.8 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -35.49 80.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 175.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.86 -44.81 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 125.35 1.46 . . . . 0.0 111.127 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.24 79.86 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.909 -1.12 . . . . 0.0 112.5 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.28 -46.7 79.6 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.627 169.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.606 HD23 HD13 ' A' ' 19' ' ' LEU . 6.1 mp -53.21 -42.64 66.51 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.663 1.574 . . . . 0.0 114.781 172.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.2 ttt -55.55 -35.27 65.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -55.56 -47.76 75.87 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 38' ' ' LEU . 3.7 mp -69.32 -32.3 71.32 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.56 73.34 0.88 Allowed Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.276 0.944 . . . . 0.0 113.004 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.606 HD13 HD23 ' A' ' 14' ' ' LEU . 3.5 mt -128.28 175.32 8.56 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.97 1.708 . . . . 0.0 111.322 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 1.9 m -58.15 -161.2 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 126.352 1.861 . . . . 0.0 113.802 177.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.791 HG23 ' H ' ' A' ' 22' ' ' GLU . 10.2 tt -107.73 -102.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 120.182 -1.574 . . . . 0.0 109.49 172.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.791 ' H ' HG23 ' A' ' 21' ' ' ILE . 43.9 mt-10 -54.63 -43.62 72.46 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.179 1.792 . . . . 0.0 112.382 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.57 -48.79 77.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.379 -0.826 . . . . 0.0 113.203 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.456 ' H ' ' HB2' ' A' ' 20' ' ' SER . . . -50.18 -41.3 49.15 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.222 -0.894 . . . . 0.0 112.054 172.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.4 p -62.85 -51.96 64.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.883 0.765 . . . . 0.0 112.149 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.95 -54.01 51.15 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.283 -0.886 . . . . 0.0 112.011 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -47.58 -55.9 8.29 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.301 1.44 . . . . 0.0 112.604 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.36 -53.44 1.98 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.554 1.142 . . . . 0.0 112.024 175.152 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.98 -37.99 69.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.787 1.235 . . . . 0.0 114.112 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.04 60.71 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.916 1.687 . . . . 0.0 115.526 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -65.75 0.63 Allowed 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 112.794 -2.003 . . . . 0.0 107.184 168.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.61 HG22 ' H ' ' A' ' 33' ' ' THR . 11.5 p 176.72 -132.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.536 3.83 1 O-C-N 129.34 4.15 . . . . 0.0 118.046 -169.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.61 ' H ' HG22 ' A' ' 32' ' ' VAL . 27.9 m -106.52 -53.53 2.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.733 2.013 . . . . 0.0 114.312 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.659 ' CE1' HD11 ' A' ' 17' ' ' LEU . 55.5 t80 -177.53 -56.81 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 125.911 3.96 . . . . 0.0 109.645 -174.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -35.61 36.78 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 126.2 1.8 . . . . 0.0 112.756 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.553 ' CB ' HG11 ' A' ' 32' ' ' VAL . 2.0 mpt_? -64.95 -54.28 33.13 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.64 170.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.529 ' OH ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.09 -47.56 84.07 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.329 1.422 . . . . 0.0 109.241 -177.181 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 17' ' ' LEU . 7.9 tp -45.82 -44.24 13.99 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.6 0.563 . . . . 0.0 111.872 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -41.2 80.43 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.75 -49.83 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 124.649 1.18 . . . . 0.0 110.813 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.34 -45.87 87.3 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.499 2.32 . . . . 0.0 111.414 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 173.238 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.663 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -50.75 64.54 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.271 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.2 -48.09 77.08 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.897 1.226 . . . . 0.0 113.565 177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.1 mtt -59.34 -47.04 86.91 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.808 1.185 . . . . 0.0 114.113 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -35.57 80.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.254 1.022 . . . . 0.0 112.162 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.81 -43.65 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 125.82 1.648 . . . . 0.0 111.512 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.17 81.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.271 -1.518 . . . . 0.0 111.894 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -40.56 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.099 0.96 . . . . 0.0 112.122 169.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.76 -45.65 89.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.6 tpt -56.42 -34.69 67.02 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -34.53 72.32 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' OH ' ' A' ' 37' ' ' TYR . 5.8 mp -78.68 -31.86 46.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 171.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.84 97.11 2.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.278 0.942 . . . . 0.0 111.093 -174.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.45 178.07 8.55 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.132 1.773 . . . . 0.0 111.656 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -63.38 -173.42 0.06 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.225 1.81 . . . . 0.0 114.312 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.695 HG23 ' H ' ' A' ' 22' ' ' GLU . 16.7 tt -83.64 -116.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 125.148 1.379 . . . . 0.0 111.091 167.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.695 ' H ' HG23 ' A' ' 21' ' ' ILE . 3.0 mt-10 -49.87 -42.48 47.79 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.555 1.942 . . . . 0.0 114.028 -175.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.51 -41.74 99.04 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.321 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.58 87.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.201 170.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -63.65 -52.14 62.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.933 1.242 . . . . 0.0 111.634 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.14 -40.85 86.78 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.26 -0.9 . . . . 0.0 112.794 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -63.5 -46.52 85.72 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.797 1.239 . . . . 0.0 112.229 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -55.24 9.98 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.81 -44.59 80.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.03 -27.04 67.81 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -79.97 -66.4 0.88 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.688 HG13 ' H ' ' A' ' 33' ' ' THR . 12.2 p -167.42 -123.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.688 ' H ' HG13 ' A' ' 32' ' ' VAL . 26.8 p -123.06 -35.07 3.06 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 127.419 2.288 . . . . 0.0 116.316 -174.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.3 t80 172.71 -78.99 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 128.066 2.546 . . . . 0.0 109.472 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.88 -38.04 81.09 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.56 -49.37 73.69 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 174.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.579 ' OH ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -68.88 -40.41 79.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.118 -0.988 . . . . 0.0 110.016 -174.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 17' ' ' LEU . 6.0 tt -47.71 -57.37 5.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.594 1.158 . . . . 0.0 110.078 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.93 -38.51 62.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.455 1.102 . . . . 0.0 112.393 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.36 -36.66 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 125.428 1.491 . . . . 0.0 113.486 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' HE1' ' A' ' 37' ' ' TYR . 7.5 mt -72.13 -45.24 61.35 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.422 1.489 . . . . 0.0 111.3 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.55 0.97 0 C-N-CA 125.759 1.624 . . . . 0.0 112.768 169.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.8 t . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 111.46 0.17 . . . . 0.0 111.46 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.94 -51.97 67.03 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 117.892 -1.052 . . . . 0.0 111.945 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -52.4 40.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.612 1.551 . . . . 0.0 112.927 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.2 ttm -59.94 -39.52 85.79 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.505 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -37.03 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.572 -1.204 . . . . 0.0 113.162 172.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.624 HD11 HG23 ' A' ' 25' ' ' THR . 25.0 mt -66.92 -41.31 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 122.524 2.42 . . . . 0.0 111.236 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.4 50.27 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.508 -0.745 . . . . 0.0 112.202 169.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 7.0 mtt-85 -61.61 -36.41 80.66 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 169.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.5 mp -63.0 -49.8 73.24 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 120.367 -1.458 . . . . 0.0 113.237 169.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -44.19 37.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.597 1.09 . . . . 0.0 113.649 171.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -55.15 -42.41 73.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.635 HD11 HD12 ' A' ' 38' ' ' LEU . 25.2 mt -74.51 -20.31 60.03 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 172.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.88 66.04 0.8 Allowed Glycine 0 N--CA 1.475 1.243 0 CA-C-N 122.144 2.247 . . . . 0.0 110.704 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.48 HD13 HD23 ' A' ' 14' ' ' LEU . 29.8 mt -137.42 178.59 6.98 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 125.71 1.604 . . . . 0.0 111.298 -169.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -63.44 -159.99 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 127.154 2.182 . . . . 0.0 112.951 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -123.55 -83.86 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.911 -1.743 . . . . 0.0 111.218 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.58 -32.3 64.05 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.544 0.738 . . . . 0.0 111.619 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.18 -45.83 58.77 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.504 173.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB1' HD22 ' A' ' 14' ' ' LEU . . . -56.44 -46.56 80.24 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 120.568 1.531 . . . . 0.0 113.034 169.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.624 HG23 HD11 ' A' ' 11' ' ' ILE . 48.4 m -49.94 -42.93 49.56 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.112 1.324 . . . . 0.0 113.802 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 -31.67 62.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.341 173.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -67.76 -60.67 2.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 119.865 1.212 . . . . 0.0 109.453 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.724 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -36.54 -62.27 0.47 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.185 1.794 . . . . 0.0 115.108 169.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.75 -30.96 70.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -79.49 -47.75 15.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.747 0.784 . . . . 0.0 112.14 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -69.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 127.094 2.158 . . . . 0.0 109.002 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.868 HG13 ' H ' ' A' ' 33' ' ' THR . 2.5 p -173.73 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.868 ' H ' HG13 ' A' ' 32' ' ' VAL . 81.7 p -165.5 -58.06 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 128.407 2.683 . . . . 0.0 110.492 -168.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 16.2 t80 178.15 -55.28 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 123.696 2.953 . . . . 0.0 110.615 169.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.62 -39.3 93.47 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.833 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.719 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -70.22 -46.3 64.81 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.776 175.206 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.11 -43.86 81.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 122.118 2.235 . . . . 0.0 111.488 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 17' ' ' LEU . 4.4 tt -44.26 -43.04 7.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.099 0.409 . . . . 0.0 110.746 171.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.66 92.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.99 -46.27 35.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 120.796 1.635 . . . . 0.0 112.546 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.5 -57.56 10.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.029 1.732 . . . . 0.0 110.897 171.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tttp . . . . . 0 CA--C 1.566 1.58 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.568 178.802 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t . . . . . 0 N--CA 1.482 1.143 0 CA-C-O 120.78 0.324 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.5 -46.19 91.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.382 0.673 . . . . 0.0 110.779 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.93 -45.73 86.1 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.081 1.752 . . . . 0.0 112.391 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 28.0 ttm -58.38 -46.28 86.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -68.51 -43.05 77.64 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.288 -0.882 . . . . 0.0 111.304 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.27 -39.0 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.814 1.245 . . . . 0.0 112.334 170.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.11 -31.57 70.37 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.652 -1.28 . . . . 0.0 112.978 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.4 -30.85 71.51 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.004 -1.06 . . . . 0.0 112.958 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.628 ' HB3' HD12 ' A' ' 19' ' ' LEU . 10.4 mt -68.63 -47.62 66.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.942 1.297 . . . . 0.0 111.604 178.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -45.94 64.95 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.737 -1.574 . . . . 0.0 110.091 173.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 m -62.71 -16.95 59.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.24 -35.88 11.11 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.975 1.261 . . . . 0.0 111.813 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.56 97.28 2.42 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.89 1.71 . . . . 0.0 110.81 -172.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 14' ' ' LEU . 60.2 mt -143.71 178.84 7.53 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 125.658 1.583 . . . . 0.0 112.173 173.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 m -73.16 -153.76 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 126.887 2.075 . . . . 0.0 114.016 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.694 HG23 ' H ' ' A' ' 22' ' ' GLU 0.29 13.9 tt -103.41 -101.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 116.728 -1.605 . . . . 0.0 113.232 174.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.694 ' H ' HG23 ' A' ' 21' ' ' ILE . 5.6 mt-10 -66.67 -45.93 77.33 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.035 2.652 . . . . 0.0 108.996 -175.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -50.39 -38.1 40.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 167.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -34.59 77.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 117.503 -1.679 . . . . 0.0 112.995 169.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 p -68.58 -58.96 3.51 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.62 -20.11 12.7 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 169.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -83.33 -31.18 26.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.473 0.578 . . . . 0.0 111.493 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -53.07 32.0 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 120.665 -1.272 . . . . 0.0 111.34 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.17 -48.95 71.69 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.433 0.693 . . . . 0.0 111.976 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -57.23 -40.35 77.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 118.906 -1.118 . . . . 0.0 111.506 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.5 -51.07 60.65 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 116.155 -1.878 . . . . 0.0 113.158 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.953 HG13 ' H ' ' A' ' 33' ' ' THR . 4.3 p 179.95 -102.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.845 0 CA-C-N 124.26 3.209 . . . . 0.0 108.151 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.953 ' H ' HG13 ' A' ' 32' ' ' VAL . 85.6 m -148.33 -72.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.262 3.025 . . . . 0.0 109.272 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -151.68 -64.44 0.18 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.25 -35.57 81.43 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.84 0.745 . . . . 0.0 111.84 -171.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.578 ' CB ' HG11 ' A' ' 32' ' ' VAL . 6.1 mtt180 -60.22 -60.36 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 169.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -32.26 71.19 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.508 1.504 . . . . 0.0 111.226 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.455 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.3 tt -57.83 -51.18 70.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.637 170.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.46 -54.76 41.68 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.491 1.041 . . . . 0.0 112.289 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.2 mt -54.54 -56.25 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.481 1.112 . . . . 0.0 111.588 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.201 1.8 . . . . 0.0 113.359 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 O-C-N 121.299 -0.876 . . . . 0.0 111.869 174.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 p . . . . . 0 N--CA 1.475 0.822 0 CA-C-O 119.947 -0.073 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -62.04 -50.33 72.42 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.187 0.995 . . . . 0.0 110.331 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.38 -50.71 68.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.626 1.17 . . . . 0.0 113.437 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.8 mmt -57.83 -40.95 81.27 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.121 0.962 . . . . 0.0 113.022 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -39.47 90.95 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.019 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 14' ' ' LEU . 8.7 mm -65.81 -41.11 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.528 1.513 . . . . 0.0 110.928 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.43 -37.15 64.81 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.055 -1.028 . . . . 0.0 112.8 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -61.72 -38.28 87.32 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.5 mp -61.51 -43.96 97.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.536 1.062 . . . . 0.0 113.612 171.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtt -59.12 -37.57 77.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.464 1.029 . . . . 0.0 113.278 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -41.16 91.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 HD12 ' A' ' 38' ' ' LEU . 23.4 mt -75.82 -29.0 58.5 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.47 92.79 2.06 Favored Glycine 0 N--CA 1.47 0.901 0 C-N-CA 124.804 1.193 . . . . 0.0 111.319 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.494 HD13 HD23 ' A' ' 14' ' ' LEU . 71.9 mt -146.51 178.08 8.56 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 126.384 1.873 . . . . 0.0 110.608 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -66.68 -163.43 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.498 1.519 . . . . 0.0 113.399 175.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.06 -95.71 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.644 -1.285 . . . . 0.0 110.142 170.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.67 -41.66 86.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.414 1.461 . . . . 0.0 114.906 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.7 -42.01 99.42 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.867 0.467 . . . . 0.0 111.514 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.05 84.42 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.732 -1.128 . . . . 0.0 112.306 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -51.92 -57.95 7.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.71 1.595 . . . . 0.0 112.089 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.9 -49.78 58.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.663 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.17 -49.99 74.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.616 1.098 . . . . 0.0 113.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.769 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -48.92 -58.59 4.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.404 1.481 . . . . 0.0 111.874 175.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.12 -38.59 91.61 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.79 -26.08 62.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.794 1.238 . . . . 0.0 114.038 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.54 -52.31 7.36 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.362 1.065 . . . . 0.0 109.443 170.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.713 HG13 ' H ' ' A' ' 33' ' ' THR . 14.5 p 176.31 -121.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 127.862 2.465 . . . . 0.0 117.184 -171.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.713 ' H ' HG13 ' A' ' 32' ' ' VAL . 89.5 m -131.42 -34.33 1.4 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.642 2.777 . . . . 0.0 112.545 -171.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 56.5 t80 170.03 -84.63 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.905 2.082 . . . . 0.0 112.778 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -58.53 -35.95 73.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.362 0.983 . . . . 0.0 113.351 -171.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.631 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -58.44 -53.35 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.877 0.871 . . . . 0.0 111.953 170.141 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -65.44 -40.09 92.84 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.945 1.248 . . . . 0.0 111.018 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD12 HD11 ' A' ' 17' ' ' LEU . 2.8 tt -52.94 -48.16 67.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.087 0.955 . . . . 0.0 110.479 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.8 -42.67 89.63 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.41 -39.12 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 124.126 0.97 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.75 -44.03 71.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.43 1.892 . . . . 0.0 111.479 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 tptp . . . . . 0 CA--C 1.549 0.928 0 O-C-N 120.796 -1.19 . . . . 0.0 112.098 173.655 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.478 0.957 0 N-CA-C 111.173 0.064 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -60.82 -51.31 69.84 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.798 0.839 . . . . 0.0 110.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.65 -42.43 78.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.418 1.487 . . . . 0.0 113.432 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt -65.77 -44.88 84.5 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -37.08 82.32 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.2 -0.937 . . . . 0.0 113.081 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 mt -60.7 -45.71 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 119.625 1.102 . . . . 0.0 111.857 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.72 67.0 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.473 -0.767 . . . . 0.0 112.835 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.82 71.62 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 170.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB3' HD12 ' A' ' 19' ' ' LEU . 8.6 mt -68.93 -42.27 77.01 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.94 -1.1 . . . . 0.0 112.002 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -31.92 61.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -65.58 -51.29 60.89 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 169.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.433 HD11 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -56.6 -40.15 74.8 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.659 1.118 . . . . 0.0 114.013 172.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.67 50.37 0.7 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.362 1.458 . . . . 0.0 114.514 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 14' ' ' LEU . 96.4 mt -88.55 -148.43 0.17 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 121.745 2.772 . . . . 0.0 111.965 174.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 20.0 m -98.0 -123.7 0.14 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 126.923 2.089 . . . . 0.0 111.817 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.02 -101.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.091 1.756 . . . . 0.0 112.659 170.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -36.21 78.86 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 123.416 2.825 . . . . 0.0 112.29 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.97 -36.76 77.81 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.304 169.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB2' ' H ' ' A' ' 20' ' ' SER . . . -62.74 -44.13 97.02 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.734 173.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -62.45 -48.13 80.99 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.113 0.869 . . . . 0.0 112.34 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -40.21 96.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.708 -1.245 . . . . 0.0 112.94 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -60.57 -48.78 80.26 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.384 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.984 1.714 . . . . 0.0 112.088 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.67 -40.61 84.44 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -60.52 -61.37 2.64 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 118.458 0.572 . . . . 0.0 109.46 169.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.38 -54.25 11.72 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.664 2.478 . . . . 0.0 107.721 -169.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.911 HG22 ' H ' ' A' ' 33' ' ' THR . 7.1 p 176.9 -137.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 127.247 2.219 . . . . 0.0 113.372 169.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.911 ' H ' HG22 ' A' ' 32' ' ' VAL . 61.8 m -84.83 -54.68 4.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 127.771 2.429 . . . . 0.0 112.268 172.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 173.75 -46.81 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.845 0 O-C-N 116.935 -3.603 . . . . 0.0 107.811 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.28 -38.55 78.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 128.265 2.626 . . . . 0.0 115.482 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CB ' HG11 ' A' ' 32' ' ' VAL . 1.9 ttp180 -71.64 -49.44 39.96 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.837 1.199 . . . . 0.0 110.765 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.418 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.59 -43.66 96.31 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.826 -1.171 . . . . 0.0 111.209 175.426 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.433 HD12 HD11 ' A' ' 17' ' ' LEU . 1.4 tt -49.01 -39.84 28.44 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -42.44 74.55 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 176.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.37 -56.04 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 120.697 -1.252 . . . . 0.0 111.942 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.78 -43.63 90.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.538 1.935 . . . . 0.0 112.02 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 tttt . . . . . 0 N--CA 1.485 1.285 0 C-N-CA 123.509 0.724 . . . . 0.0 112.083 172.354 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.3 t . . . . . 0 N--CA 1.479 0.987 0 CA-C-O 119.11 -0.471 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -54.9 -52.55 62.54 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.302 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.46 -44.63 80.73 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 120.16 1.345 . . . . 0.0 113.995 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.2 mtt -63.45 -43.88 96.09 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.86 -39.77 91.04 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.262 0.625 . . . . 0.0 112.024 173.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.9 mt -60.18 -40.98 85.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 125.021 1.328 . . . . 0.0 111.411 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.89 76.56 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.93 -1.106 . . . . 0.0 112.065 173.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 34' ' ' TYR . 1.2 ttm180 -59.34 -44.58 92.62 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.631 1.173 . . . . 0.0 112.794 169.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -60.02 -39.32 85.47 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.923 -1.111 . . . . 0.0 113.011 174.666 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.15 73.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.818 0.847 . . . . 0.0 112.163 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -62.1 -42.68 99.46 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 38' ' ' LEU . 7.2 mp -71.4 -4.87 28.71 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.15 83.04 0.72 Allowed Glycine 0 CA--C 1.539 1.556 0 CA-C-N 120.179 1.354 . . . . 0.0 113.644 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -145.49 170.82 15.65 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.313 1.845 . . . . 0.0 112.95 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -62.68 -171.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.165 1.786 . . . . 0.0 113.851 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 25' ' ' THR . 2.3 mp -94.48 -86.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.241 -1.537 . . . . 0.0 111.66 172.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.76 -35.66 65.02 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 119.487 1.04 . . . . 0.0 112.513 -172.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.38 -44.6 90.86 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.567 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.7 72.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 21' ' ' ILE . 11.9 p -73.09 -35.38 66.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 121.431 1.923 . . . . 0.0 112.126 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.294 -0.879 . . . . 0.0 111.056 177.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -69.32 -39.58 78.15 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.665 1.586 . . . . 0.0 112.361 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.416 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -53.9 -56.13 20.58 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.865 172.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.1 -49.93 72.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -61.96 -15.48 43.99 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.44 -63.19 1.32 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 169.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 33' ' ' THR . 11.6 p -172.98 -126.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.696 ' H ' HG13 ' A' ' 32' ' ' VAL . 17.8 p -122.62 -30.17 3.93 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.051 2.141 . . . . 0.0 116.347 -169.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.403 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 85.8 t80 163.19 -80.37 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 129.62 3.168 . . . . 0.0 109.29 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.86 -34.2 77.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.593 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -63.68 -46.54 85.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 173.503 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.471 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.09 -38.43 72.39 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.394 1.452 . . . . 0.0 109.124 -178.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 17' ' ' LEU . 5.9 tt -51.73 -44.7 63.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.877 0.871 . . . . 0.0 111.041 172.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.72 -45.48 82.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.33 -48.12 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.77 1.228 . . . . 0.0 111.032 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.46 -36.44 76.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.426 1.89 . . . . 0.0 112.283 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mttp . . . . . 0 N--CA 1.479 1.024 0 CA-C-N 120.259 1.391 . . . . 0.0 112.661 169.677 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 87.5 t . . . . . 0 N--CA 1.472 0.669 0 CA-C-O 118.739 -0.648 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -54.84 -54.39 43.01 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.328 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.86 -50.0 69.74 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.597 1.544 . . . . 0.0 113.88 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.35 -43.01 99.82 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.21 -37.9 88.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.969 1.308 . . . . 0.0 111.266 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.421 ' CG2' HG22 ' A' ' 25' ' ' THR . 58.4 mt -70.05 -43.71 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.793 1.637 . . . . 0.0 111.382 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.34 82.78 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 119.57 -1.956 . . . . 0.0 112.833 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -37.64 67.26 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.689 1.196 . . . . 0.0 112.247 169.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 19' ' ' LEU . 15.7 mt -60.36 -42.91 96.74 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.7 mtp -59.95 -37.18 78.8 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.829 -0.544 . . . . 0.0 112.388 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 m -60.4 -37.76 81.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -72.32 -29.13 63.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 173.041 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.83 96.22 1.55 Allowed Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 14' ' ' LEU . 62.0 mt -144.45 175.57 10.02 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.973 1.709 . . . . 0.0 113.422 173.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 m -64.59 -154.54 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 126.983 2.113 . . . . 0.0 113.428 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 25' ' ' THR . 35.2 mt -112.75 -100.59 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 119.981 -1.699 . . . . 0.0 108.987 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.12 70.78 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 120.333 1.424 . . . . 0.0 112.901 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.08 -46.55 50.92 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.511 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.33 63.09 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 171.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' ILE . 5.0 p -68.25 -41.31 81.33 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.98 1.371 . . . . 0.0 110.576 -178.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -35.27 73.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.048 173.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -72.37 -52.31 16.62 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 120.812 1.642 . . . . 0.0 106.97 -175.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -38.63 -46.97 1.27 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 168.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -22.13 46.42 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.04 -38.85 17.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.153 0.981 . . . . 0.0 112.873 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -71.52 0.18 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 127.293 2.237 . . . . 0.0 107.014 174.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.885 HG13 ' H ' ' A' ' 33' ' ' THR . 2.4 p -164.3 -77.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.327 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 171.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.885 ' H ' HG13 ' A' ' 32' ' ' VAL . 67.2 p -160.41 -51.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.079 2.152 . . . . 0.0 110.294 -167.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CE1' HD12 ' A' ' 17' ' ' LEU . 78.5 t80 176.68 -70.35 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.918 2.487 . . . . 0.0 108.316 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.21 -39.44 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -172.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.796 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.2 ttt180 -68.13 -48.19 66.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.397 0.279 . . . . 0.0 111.198 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -67.36 -47.21 71.1 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 117.625 -1.178 . . . . 0.0 109.518 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 17' ' ' LEU . 5.0 tt -42.19 -53.65 3.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.257 1.423 . . . . 0.0 110.891 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.23 -40.6 82.15 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.961 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.8 mt -73.03 -49.21 40.5 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 125.445 1.498 . . . . 0.0 111.928 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.71 -45.83 81.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.297 2.639 . . . . 0.0 112.563 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.9 mttt . . . . . 0 N--CA 1.484 1.248 0 C-N-CA 124.587 1.155 . . . . 0.0 112.974 168.509 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 111.16 0.059 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -61.9 -45.73 92.48 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 123.187 0.595 . . . . 0.0 109.634 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.21 -40.69 98.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.619 0.645 . . . . 0.0 111.888 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.79 -57.31 9.25 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.547 -1.346 . . . . 0.0 114.172 172.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -28.61 6.1 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 171.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.2 mt -72.68 -45.18 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.39 82.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.126 -1.608 . . . . 0.0 111.813 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -54.33 -44.42 72.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.76 1.224 . . . . 0.0 111.943 169.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 19' ' ' LEU . 15.2 mt -58.69 -35.88 73.32 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -35.56 77.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.191 -0.913 . . . . 0.0 113.198 173.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -43.52 90.13 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 119.035 0.834 . . . . 0.0 112.123 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 38' ' ' LEU . 6.0 mp -77.01 -3.88 41.29 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.062 1.345 . . . . 0.0 113.895 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.49 85.66 0.15 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.351 1.453 . . . . 0.0 112.02 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 14' ' ' LEU . 77.1 mt -135.6 166.98 21.96 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 126.03 1.732 . . . . 0.0 109.237 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -64.47 -164.62 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.926 1.691 . . . . 0.0 113.97 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.651 HG23 ' H ' ' A' ' 22' ' ' GLU . 21.2 tt -87.08 -107.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 119.97 -1.706 . . . . 0.0 115.587 165.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.651 ' H ' HG23 ' A' ' 21' ' ' ILE . 5.0 pt-20 -47.13 -47.6 23.45 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 127.19 2.196 . . . . 0.0 112.796 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.16 -43.95 98.08 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 113.235 -1.802 . . . . 0.0 110.829 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.75 82.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.178 0.899 . . . . 0.0 112.081 168.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.4 p -62.68 -51.11 68.49 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.544 1.066 . . . . 0.0 112.371 -174.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.58 -40.81 96.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.633 -1.292 . . . . 0.0 111.487 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -60.38 -41.46 93.81 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.051 0.844 . . . . 0.0 112.576 175.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' CB ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -60.61 -48.54 81.31 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.069 2.148 . . . . 0.0 112.944 176.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -43.47 53.53 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.696 1.199 . . . . 0.0 110.833 -174.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.15 -59.61 4.69 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.794 0.838 . . . . 0.0 109.636 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.67 -38.85 49.0 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 115.475 -2.203 . . . . 0.0 115.509 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.936 HG13 ' H ' ' A' ' 33' ' ' THR . 5.6 p 162.51 -95.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.936 ' H ' HG13 ' A' ' 32' ' ' VAL . 89.9 m -158.97 -94.7 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 130.17 3.388 . . . . 0.0 105.881 -167.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 45.1 t80 -137.82 -64.1 0.55 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.311 -2.118 . . . . 0.0 114.858 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.78 -43.16 97.18 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 119.756 1.162 . . . . 0.0 111.81 -170.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.643 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -50.39 -48.67 55.88 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 171.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.566 ' OH ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.59 -39.02 77.53 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 118.767 0.712 . . . . 0.0 110.341 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 17' ' ' LEU . 2.0 tm? -60.01 -50.51 73.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.07 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.01 -50.15 73.61 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.991 1.268 . . . . 0.0 112.454 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.32 -48.89 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 O-C-N 123.783 0.677 . . . . 0.0 111.175 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.44 -32.31 66.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.537 1.935 . . . . 0.0 114.187 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.613 ' HE3' HD21 ' A' ' 38' ' ' LEU . 60.4 mttt . . . . . 0 N--CA 1.474 0.763 0 CA-C-N 120.077 1.308 . . . . 0.0 110.244 170.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 110.646 -0.131 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -54.67 44.29 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.378 176.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.65 -31.36 66.23 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.5 mtt -75.24 -46.91 30.8 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.1 85.07 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.434 -0.791 . . . . 0.0 112.093 173.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 25' ' ' THR . 61.8 mt -60.59 -46.76 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 124.833 1.253 . . . . 0.0 111.069 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.12 86.3 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.384 -1.447 . . . . 0.0 113.104 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -37.12 51.01 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 121.238 -0.914 . . . . 0.0 112.439 170.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.537 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.8 mt -64.6 -42.77 95.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -59.93 -23.24 63.37 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 172.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -24.5 54.32 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 171.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.449 HD11 HD12 ' A' ' 38' ' ' LEU . 2.7 mt -85.1 -26.39 26.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.63 1.172 . . . . 0.0 113.772 171.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.7 72.02 0.94 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.122 0.867 . . . . 0.0 112.691 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 14' ' ' LEU . 48.3 mt -119.77 -162.56 0.93 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.524 1.53 . . . . 0.0 111.382 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.435 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 20.2 m -87.13 -110.99 0.06 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.715 2.006 . . . . 0.0 113.978 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.723 HG23 ' H ' ' A' ' 22' ' ' GLU . 13.1 tt -152.57 -100.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 C-N-CA 127.889 2.476 . . . . 0.0 113.199 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.723 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.6 mt-10 -65.12 -48.56 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.697 -1.877 . . . . 0.0 111.718 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -39.52 72.2 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.909 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HB2' ' H ' ' A' ' 20' ' ' SER . . . -62.64 -40.51 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 171.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 11' ' ' ILE . 95.7 m -59.85 -52.1 66.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 111.842 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.56 -35.18 78.66 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.971 -1.081 . . . . 0.0 113.529 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -65.3 -46.7 79.33 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.031 0.532 . . . . 0.0 112.019 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -47.83 65.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.497 2.319 . . . . 0.0 113.824 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.84 -39.76 50.11 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 -178.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.68 -56.21 23.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.642 0.377 . . . . 0.0 110.432 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.74 -56.53 14.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 117.193 -1.384 . . . . 0.0 114.623 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.92 HG13 ' H ' ' A' ' 33' ' ' THR . 7.4 p 177.62 -107.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 124.998 1.319 . . . . 0.0 112.953 -171.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.92 ' H ' HG13 ' A' ' 32' ' ' VAL . 24.5 m -143.9 -97.95 0.11 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 130.636 3.574 . . . . 0.0 105.121 -173.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.96 -66.12 0.76 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.53 -36.78 83.68 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.503 1.502 . . . . 0.0 114.024 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.482 ' HD3' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -59.08 -53.37 59.08 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.619 -0.675 . . . . 0.0 112.69 173.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -36.13 83.31 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.447 1.021 . . . . 0.0 111.258 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.449 HD12 HD11 ' A' ' 17' ' ' LEU . 1.4 tt -53.84 -41.08 67.03 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.243 0.929 . . . . 0.0 111.995 171.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.37 -46.8 53.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.755 0.707 . . . . 0.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.84 -47.99 89.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 124.153 0.981 . . . . 0.0 111.405 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.67 -27.93 61.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 113.068 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.0 mttt . . . . . 0 N--CA 1.474 0.773 0 CA-C-N 121.087 1.767 . . . . 0.0 111.485 169.723 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.5 t . . . . . 0 N--CA 1.48 1.063 0 N-CA-C 111.372 0.138 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -55.88 -49.18 74.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.702 0.801 . . . . 0.0 110.527 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -42.91 95.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.151 1.381 . . . . 0.0 113.552 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 tpt -63.79 -48.04 78.51 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 112.621 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -38.1 84.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.966 0.906 . . . . 0.0 112.128 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mt -62.94 -40.12 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 120.81 -1.181 . . . . 0.0 111.307 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.14 72.79 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.973 -1.079 . . . . 0.0 111.98 174.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.12 -43.69 91.97 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.298 -0.876 . . . . 0.0 113.001 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -60.49 -37.94 82.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.591 1.087 . . . . 0.0 112.897 176.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.96 76.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.636 -0.665 . . . . 0.0 111.928 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -31.26 72.08 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.744 HD21 HD12 ' A' ' 38' ' ' LEU . 6.6 mp -83.18 -0.61 50.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 172.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.7 83.03 0.51 Allowed Glycine 0 CA--C 1.534 1.262 0 CA-C-N 121.012 1.733 . . . . 0.0 112.864 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.9 mt -143.13 174.28 10.83 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.396 1.478 . . . . 0.0 112.645 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 m -64.76 -166.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.674 1.989 . . . . 0.0 113.183 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 25' ' ' THR . 6.2 mt -102.53 -80.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 119.72 -1.862 . . . . 0.0 111.596 175.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -39.05 49.5 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.243 0.929 . . . . 0.0 111.843 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.1 -44.03 97.98 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.273 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.7 79.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.867 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.3 p -60.42 -39.59 88.0 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.484 1.493 . . . . 0.0 114.432 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.33 -40.48 64.43 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.471 -0.768 . . . . 0.0 111.337 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.91 -44.56 96.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.656 1.183 . . . . 0.0 112.308 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.5 -61.34 2.24 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.488 1.115 . . . . 0.0 110.959 171.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -24.22 67.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.99 -20.77 25.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -84.35 -51.27 7.1 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.724 HG13 ' H ' ' A' ' 33' ' ' THR . 15.0 p 176.4 -121.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 127.734 2.414 . . . . 0.0 116.699 -172.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.724 ' H ' HG13 ' A' ' 32' ' ' VAL . 32.0 m -129.06 -37.02 1.72 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 128.339 2.656 . . . . 0.0 113.287 -168.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.6 t80 166.82 -83.24 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.719 2.408 . . . . 0.0 111.171 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.87 -31.88 73.08 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.712 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.6 -51.0 67.18 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.702 174.179 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.441 ' CZ ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -37.91 86.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.611 1.096 . . . . 0.0 110.128 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.744 HD12 HD21 ' A' ' 17' ' ' LEU . 7.7 tt -51.32 -52.38 45.84 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.147 173.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.2 -42.5 91.06 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.97 -46.16 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.196 0.999 . . . . 0.0 111.936 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -72.13 -38.65 69.21 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.031 2.132 . . . . 0.0 112.691 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt . . . . . 0 N--CA 1.475 0.812 0 O-C-N 120.886 -1.134 . . . . 0.0 111.545 169.545 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.483 1.178 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -58.85 -53.33 59.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.458 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -41.01 66.5 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.731 1.612 . . . . 0.0 114.307 175.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 ttt -69.48 -42.6 74.62 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -30.43 67.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.128 0.971 . . . . 0.0 112.783 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.552 HD11 HG23 ' A' ' 25' ' ' THR . 50.9 mt -64.9 -39.94 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 124.562 1.145 . . . . 0.0 111.274 172.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.33 88.95 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.731 -1.231 . . . . 0.0 112.131 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -55.5 -34.41 64.58 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.7 1.2 . . . . 0.0 113.446 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.38 -43.66 89.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.653 1.181 . . . . 0.0 112.39 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 tpp -58.97 -25.35 63.51 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.653 0.781 . . . . 0.0 112.669 173.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.97 -10.98 59.99 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 38' ' ' LEU . 25.2 mt -111.08 -3.85 15.31 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.67 1.588 . . . . 0.0 113.486 176.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.55 77.64 1.23 Allowed Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.024 0.821 . . . . 0.0 113.294 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -140.26 165.63 26.87 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.139 1.776 . . . . 0.0 113.955 -175.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -161.04 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.025 1.73 . . . . 0.0 112.568 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.77 -76.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 120.431 -1.418 . . . . 0.0 111.429 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.76 -44.13 17.43 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 118.776 0.716 . . . . 0.0 110.95 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.91 -45.84 89.36 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.38 69.31 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.821 170.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 11' ' ' ILE . 97.9 m -55.26 -47.68 75.09 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.872 1.215 . . . . 0.0 112.98 176.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.85 -51.31 59.9 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.796 -0.565 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.58 -48.81 63.03 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -58.45 4.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.931 1.292 . . . . 0.0 111.058 174.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.08 89.36 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -11.32 59.8 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.51 -42.08 8.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.52 1.128 . . . . 0.0 110.512 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.719 HG13 ' H ' ' A' ' 33' ' ' THR . 11.9 p 162.18 -125.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 127.89 3.244 . . . . 0.0 117.784 -172.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.719 ' H ' HG13 ' A' ' 32' ' ' VAL . 31.5 p -124.37 -40.01 2.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 128.353 2.661 . . . . 0.0 115.894 -169.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.1 t80 177.32 -69.73 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 123.68 2.946 . . . . 0.0 110.064 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -37.8 74.31 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.102 0.961 . . . . 0.0 112.67 -174.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.642 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.87 -44.51 96.67 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 118.855 -0.593 . . . . 0.0 112.595 174.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.9 -38.95 73.03 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.154 1.343 . . . . 0.0 110.263 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -49.7 -44.59 48.25 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.928 0.785 . . . . 0.0 111.014 175.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.79 -42.13 91.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 112.488 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.33 -48.15 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.274 1.029 . . . . 0.0 112.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.11 -45.73 91.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.871 2.069 . . . . 0.0 112.541 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.551 0.981 0 C-N-CA 123.167 0.587 . . . . 0.0 111.677 174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -54.3 46.09 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.766 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.45 -43.52 71.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.195 1.362 . . . . 0.0 114.007 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -52.16 64.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.487 0.715 . . . . 0.0 112.819 174.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -36.86 78.99 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.095 0.958 . . . . 0.0 112.41 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 25' ' ' THR . 54.7 mt -64.12 -44.91 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.768 1.627 . . . . 0.0 111.327 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.14 -37.44 72.02 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.976 -1.077 . . . . 0.0 112.108 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.95 75.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.827 0.851 . . . . 0.0 112.779 171.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 19' ' ' LEU . 16.2 mt -59.19 -43.97 92.21 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.176 -0.953 . . . . 0.0 112.417 173.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ttt -60.1 -28.24 67.67 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -60.96 -52.3 65.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.841 1.201 . . . . 0.0 111.884 169.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 38' ' ' LEU . 1.1 mt -58.29 -35.41 71.77 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 170.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.85 79.33 1.33 Allowed Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.76 1.171 . . . . 0.0 111.367 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 14' ' ' LEU . 44.8 mt -134.24 169.62 16.93 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-N 120.232 2.016 . . . . 0.0 110.087 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -55.67 -159.29 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 126.086 1.754 . . . . 0.0 113.728 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.9 mt -108.8 -97.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.329 -2.107 . . . . 0.0 109.364 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.11 -28.6 67.47 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.665 1.586 . . . . 0.0 112.911 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -49.2 43.57 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.966 -1.47 . . . . 0.0 112.175 171.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.95 76.36 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 120.962 1.71 . . . . 0.0 113.374 168.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 11' ' ' ILE . 90.1 m -48.18 -50.35 29.35 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.359 1.436 . . . . 0.0 113.492 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -73.86 -26.04 60.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -69.21 -61.4 1.81 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.495 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.83 -63.01 0.28 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.423 2.289 . . . . 0.0 113.92 169.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -34.23 77.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.96 -43.54 65.02 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.598 1.19 . . . . 0.0 113.595 169.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.288 0.6 OUTLIER -53.91 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 111.819 -2.446 . . . . 0.0 109.132 175.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.84 HG22 ' H ' ' A' ' 33' ' ' THR . 6.7 p 173.9 -132.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 C-N-CA 127.873 2.469 . . . . 0.0 108.355 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.84 ' H ' HG22 ' A' ' 32' ' ' VAL . 41.0 p -92.32 -57.75 2.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.523 2.729 . . . . 0.0 117.115 171.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' CE1' HD12 ' A' ' 17' ' ' LEU . 25.3 t80 179.96 -48.6 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.589 2 CA-C-N 127.178 4.535 . . . . 0.0 108.961 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.32 -35.94 61.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 126.336 1.854 . . . . 0.0 114.482 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.636 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -68.94 -49.13 60.72 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.675 -0.641 . . . . 0.0 110.998 174.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -43.37 86.83 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.578 -1.326 . . . . 0.0 110.154 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 17' ' ' LEU . 3.5 tt -44.86 -43.12 8.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 124.034 0.833 . . . . 0.0 109.87 172.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.63 -38.96 77.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -73.35 -50.08 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 119.754 1.161 . . . . 0.0 111.772 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.07 -45.99 86.28 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.721 2.408 . . . . 0.0 111.752 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt . . . . . 0 N--CA 1.484 1.235 0 O-C-N 122.205 -0.309 . . . . 0.0 111.729 173.57 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.5 t . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.026 -0.035 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -55.43 -47.76 75.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.204 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -37.64 84.38 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.121 0.969 . . . . 0.0 113.091 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -54.48 13.11 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.325 1.05 . . . . 0.0 113.088 177.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -53.02 -45.21 67.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.841 -1.162 . . . . 0.0 112.448 170.673 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.7 mt -54.5 -41.24 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.942 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.55 -34.97 78.97 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.542 -1.349 . . . . 0.0 113.033 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -60.69 -37.11 80.55 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.852 -1.155 . . . . 0.0 113.867 171.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.444 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -68.44 -30.74 69.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.213 1.005 . . . . 0.0 112.668 173.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ttt -66.4 -40.3 89.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.397 171.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -45.93 82.97 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.501 HD12 ' OH ' ' A' ' 37' ' ' TYR . 23.3 mt -69.22 -32.16 71.22 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.807 -1.183 . . . . 0.0 113.363 170.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.75 86.33 1.89 Allowed Glycine 0 N--CA 1.47 0.94 0 C-N-CA 125.86 1.695 . . . . 0.0 113.346 170.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.6 -160.12 0.87 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 126.344 1.858 . . . . 0.0 110.633 -176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -72.85 -131.33 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.56 1.544 . . . . 0.0 113.961 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 mp -138.47 -107.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 128.153 2.581 . . . . 0.0 107.27 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -19.48 40.51 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 122.18 2.264 . . . . 0.0 116.458 177.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.93 -36.29 18.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 112.688 -2.051 . . . . 0.0 113.714 169.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.8 92.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.137 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -60.57 -55.82 28.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.76 1.618 . . . . 0.0 112.758 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -27.71 67.68 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -74.38 -35.08 63.5 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -52.26 61.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.166 1.387 . . . . 0.0 112.392 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.0 -52.78 54.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.875 0.87 . . . . 0.0 111.235 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -54.54 -46.35 73.59 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.587 0.554 . . . . 0.0 110.559 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.81 -41.76 98.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 115.597 -2.144 . . . . 0.0 114.672 174.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 ' H ' ' A' ' 33' ' ' THR . 4.3 p 169.24 -93.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 122.437 2.38 . . . . 0.0 113.639 -173.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.922 ' H ' HG13 ' A' ' 32' ' ' VAL . 73.3 m -162.93 -78.67 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 129.464 3.106 . . . . 0.0 108.363 -168.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -147.39 -67.87 0.25 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.27 -39.67 92.89 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.652 1.569 . . . . 0.0 113.628 -170.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.6 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -50.07 -54.22 21.87 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 169.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.501 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.61 -38.3 89.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.753 -179.188 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.46 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.2 tt -59.37 -47.0 87.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.023 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -59.51 -55.19 37.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.616 1.166 . . . . 0.0 112.277 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.07 -46.28 77.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.681 0.792 . . . . 0.0 112.223 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.14 -42.8 93.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.886 1.274 . . . . 0.0 112.921 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 tttt . . . . . 0 CA--C 1.548 0.877 0 C-N-CA 123.084 0.553 . . . . 0.0 110.736 176.439 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.192 0.044 . . . . 0.01 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mp -120.77 6.38 10.46 Favored 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.484 1.514 . . . . 0.0 113.683 -173.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.9 p -68.94 146.34 12.81 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.723 1.209 . . . . 0.0 111.718 174.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.02 -27.65 63.74 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.079 -1.013 . . . . 0.0 113.568 176.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.41 -33.72 63.78 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 126.364 1.866 . . . . 0.0 113.567 172.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 55.4 t -61.64 -51.49 72.18 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.19 0 CA-C-N 119.265 0.939 . . . . 0.0 110.419 172.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -54.27 -51.43 64.6 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 122.931 0.493 . . . . 0.0 109.95 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -60.23 -41.98 94.25 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.871 1.268 . . . . 0.0 113.974 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.3 ttm -63.08 -47.19 83.95 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.25 1.02 . . . . 0.0 113.005 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -64.53 -31.93 73.35 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.969 1.307 . . . . 0.0 111.585 176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 54.3 mt -70.41 -41.25 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.835 0 C-N-CA 124.411 1.084 . . . . 0.0 111.648 171.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.82 -33.98 73.84 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.12 -1.612 . . . . 0.0 112.035 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -57.51 -37.7 73.43 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 124.041 0.936 . . . . 0.0 112.435 169.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.865 HD21 ' HB2' ' A' ' 28' ' ' TYR . 21.5 mt -58.58 -46.78 86.22 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 173.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -34.41 73.85 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 176.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.0 m -64.87 -37.13 86.59 Favored 'General case' 0 N--CA 1.475 0.799 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 174.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 HD11 HD12 ' A' ' 38' ' ' LEU . 28.5 mt -79.06 -29.14 43.31 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 172.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.97 95.81 2.14 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.228 -1.149 . . . . 0.0 110.228 -176.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 88.3 mt -144.33 179.9 6.95 Favored 'General case' 0 CA--C 1.559 1.314 0 C-N-CA 124.735 1.214 . . . . 0.0 111.75 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -65.74 -162.55 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 125.741 1.617 . . . . 0.0 112.896 174.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.8 mt -105.9 -98.94 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 O-C-N 120.264 -1.522 . . . . 0.0 108.588 171.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -60.13 -43.86 95.37 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 -173.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -59.74 -43.0 94.41 Favored 'General case' 0 N--CA 1.484 1.247 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 170.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.45 -44.79 65.74 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 118.167 -0.92 . . . . 0.0 111.861 171.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -59.41 -54.98 40.41 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 120.009 1.277 . . . . 0.0 112.229 178.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.25 -46.43 69.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 121.367 -0.833 . . . . 0.0 112.639 174.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -56.82 -51.27 69.65 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.18 0.992 . . . . 0.0 112.822 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.865 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -46.22 -55.69 6.78 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 111.516 175.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.3 -33.14 74.65 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.138 1.375 . . . . 0.0 114.369 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -78.07 -24.95 47.47 Favored 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.73 -32.14 20.59 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.881 1.273 . . . . 0.0 112.318 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.772 HG13 ' H ' ' A' ' 33' ' ' THR . 12.9 p 157.3 -121.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.196 0 C-N-CA 130.552 3.541 . . . . 0.0 117.901 -175.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.772 ' H ' HG13 ' A' ' 32' ' ' VAL . 25.4 p -128.35 -42.02 1.52 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 129.338 3.055 . . . . 0.0 113.651 -169.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 43.8 t80 178.0 -81.87 0.0 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 127.402 2.281 . . . . 0.0 111.377 177.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.88 -35.05 72.36 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -171.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.67 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -65.17 -40.54 94.45 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.55 0.74 . . . . 0.0 112.983 174.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -73.14 -38.84 66.13 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 120.051 1.296 . . . . 0.0 109.807 177.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.486 HD12 HD11 ' A' ' 17' ' ' LEU . 2.6 tt -51.72 -48.4 63.62 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 123.826 0.85 . . . . 0.0 110.148 176.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.43 -42.8 96.82 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.265 1.026 . . . . 0.0 112.757 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.1 mt -69.57 -43.57 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.383 1.073 . . . . 0.0 112.374 178.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.6 mt -65.46 -39.1 91.59 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.748 1.619 . . . . 0.0 111.912 177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -31.03 72.04 Favored 'General case' 0 CA--C 1.548 0.89 0 N-CA-C 113.452 0.908 . . . . 0.0 113.452 172.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -55.65 22.43 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.333 0.653 . . . . 0.0 109.818 169.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.4 mttm -62.99 -174.57 0.07 Allowed 'General case' 0 CA--C 1.562 1.428 0 C-N-CA 125.733 1.613 . . . . 0.0 114.293 168.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 47.15 69.06 0.54 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.836 2.054 . . . . 0.0 115.971 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -63.32 155.92 27.23 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 124.864 1.266 . . . . 0.0 112.937 170.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 N--CA 1.488 1.449 0 C-N-CA 127.811 2.444 . . . . 0.0 113.938 -173.217 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 113.18 0.808 . . . . 0.01 113.18 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mp 57.72 16.1 3.31 Favored 'General case' 0 CA--C 1.558 1.264 0 C-N-CA 126.288 1.835 . . . . 0.0 115.358 -169.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 5' ' ' GLU . 59.0 t -73.51 133.88 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 120.727 -1.233 . . . . 0.0 110.939 177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -53.25 -39.62 63.97 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.401 1.081 . . . . 0.0 113.127 173.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.492 ' H ' HG12 ' A' ' 3' ' ' VAL . 9.7 tt0 -61.18 -40.64 94.66 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 124.075 0.95 . . . . 0.0 113.112 176.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.44 -51.38 68.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-O 118.753 -0.642 . . . . 0.0 110.131 173.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 -53.51 55.1 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 118.606 0.639 . . . . 0.0 111.194 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.39 -49.96 70.98 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 119.691 1.132 . . . . 0.0 112.76 179.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 20.6 ttm -57.33 -39.15 75.29 Favored 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 177.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.27 -35.93 61.27 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.81 0.844 . . . . 0.0 112.039 177.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 44.2 mt -69.13 -42.81 81.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.574 0 O-C-N 119.962 -1.711 . . . . 0.0 110.992 176.092 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.61 -33.59 55.51 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.049 -1.032 . . . . 0.0 112.588 169.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.26 -36.59 80.44 Favored 'General case' 0 CA--C 1.555 1.163 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.117 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.708 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.9 mp -63.48 -47.5 81.51 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.344 0.975 . . . . 0.0 112.788 169.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -52.55 -46.41 66.8 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 121.208 1.822 . . . . 0.0 113.906 172.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -54.55 -32.83 59.09 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 175.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.445 HD11 HD12 ' A' ' 38' ' ' LEU . 14.2 mt -86.95 -22.08 25.83 Favored 'General case' 0 CA--C 1.545 0.759 0 N-CA-C 115.935 1.828 . . . . 0.0 115.935 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.67 58.25 0.73 Allowed Glycine 0 CA--C 1.537 1.416 0 CA-C-N 121.53 1.968 . . . . 0.0 114.236 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.1 mt -127.25 175.11 8.41 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.981 1.712 . . . . 0.0 112.358 -175.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.7 m -60.46 -157.91 0.0 OUTLIER 'General case' 0 CA--C 1.561 1.382 0 C-N-CA 127.568 2.347 . . . . 0.0 114.81 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.503 ' O ' HG23 ' A' ' 25' ' ' THR . 2.6 mt -115.19 -94.18 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.248 0 O-C-N 120.172 -1.58 . . . . 0.0 109.133 176.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.89 -30.61 69.14 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 124.662 1.185 . . . . 0.0 112.635 -177.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -68.89 -50.54 48.73 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.931 171.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -51.46 -50.73 59.24 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 119.999 1.272 . . . . 0.0 113.346 172.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.503 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.6 p -53.56 -40.4 65.54 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.399 0.999 . . . . 0.0 113.497 179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -75.83 -28.05 58.12 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 173.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -69.29 -58.57 3.85 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 119.043 0.838 . . . . 0.0 109.388 177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.708 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.14 -59.61 0.99 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 125.754 1.622 . . . . 0.0 113.068 169.771 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.64 -29.36 69.22 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -83.38 -36.71 24.12 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 173.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.79 -73.92 0.09 Allowed 'General case' 0 C--O 1.233 0.236 0 C-N-CA 126.354 1.862 . . . . 0.0 107.953 173.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.889 HG13 ' H ' ' A' ' 33' ' ' THR . 5.3 p -164.33 -78.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 N-CA-C 117.195 2.294 . . . . 0.0 117.195 178.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.889 ' H ' HG13 ' A' ' 32' ' ' VAL . 46.0 p -161.0 -58.26 0.05 Allowed 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 128.475 2.71 . . . . 0.0 109.382 -168.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 6.7 t80 -179.72 -63.85 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.182 0 O-C-N 118.876 -2.39 . . . . 0.0 109.477 169.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.14 -32.09 72.64 Favored 'General case' 0 N--CA 1.487 1.387 0 CA-C-N 113.221 -1.809 . . . . 0.0 111.765 -174.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.692 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -71.19 -44.63 65.06 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-O 117.54 -1.219 . . . . 0.0 113.166 170.098 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -69.17 -43.78 73.53 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 123.105 2.684 . . . . 0.0 110.518 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD12 HD11 ' A' ' 17' ' ' LEU . 6.3 tt -46.2 -44.94 16.53 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-N 119.201 0.909 . . . . 0.0 111.618 169.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -61.37 -46.48 90.01 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 114.588 1.329 . . . . 0.0 114.588 171.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.3 mt -71.12 -50.94 38.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 O-C-N 120.851 -1.156 . . . . 0.0 111.993 -176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.96 -56.02 26.07 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 128.334 2.654 . . . . 0.0 111.904 178.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -55.33 -25.26 33.61 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 173.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 t -78.2 -43.5 28.34 Favored 'General case' 0 CA--C 1.555 1.159 0 N-CA-C 113.077 0.769 . . . . 0.0 113.077 168.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.51 -173.82 0.17 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 128.03 2.532 . . . . 0.0 113.93 169.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -53.67 122.91 10.83 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 121.039 -1.038 . . . . 0.0 112.456 169.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -111.51 176.73 4.91 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 126.512 1.925 . . . . 0.0 112.037 176.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.141 0 C-N-CA 124.757 1.223 . . . . 0.0 113.726 170.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 119.34 -0.362 . . . . 0.01 111.1 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -60.52 -50.46 73.47 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 124.092 0.957 . . . . 0.0 112.988 177.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.9 m -105.33 128.75 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.049 1.34 . . . . 0.0 110.022 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -110.17 16.93 21.46 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 126.081 1.753 . . . . 0.0 112.541 177.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -54.68 -38.84 67.48 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.523 1.129 . . . . 0.0 113.161 171.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 3.3 p -59.7 -46.37 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.79 0 CA-C-N 117.889 0.313 . . . . 0.0 110.674 173.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -45.61 93.64 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.957 0.903 . . . . 0.0 111.45 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -42.82 90.99 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.723 1.209 . . . . 0.0 112.952 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 23.0 mtt -63.1 -44.64 95.12 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 171.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.15 -31.33 68.88 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.094 -1.004 . . . . 0.0 112.616 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.4 mm -63.38 -44.79 99.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 119.564 1.075 . . . . 0.0 111.419 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.06 -38.34 73.13 Favored 'General case' 0 CA--C 1.55 0.96 0 O-C-N 121.288 -0.882 . . . . 0.0 112.698 174.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.404 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -57.97 -40.25 80.16 Favored 'General case' 0 CA--C 1.547 0.848 0 O-C-N 121.057 -1.027 . . . . 0.0 113.616 171.549 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 19' ' ' LEU . 17.7 mt -60.24 -39.82 88.05 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.086 0.954 . . . . 0.0 112.061 174.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -63.3 -22.49 66.91 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.314 1.046 . . . . 0.0 113.396 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -58.5 3.69 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-N 118.617 0.644 . . . . 0.0 110.758 169.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.6 mp -56.52 -32.67 65.3 Favored 'General case' 0 CA--C 1.552 1.021 0 N-CA-C 115.04 1.496 . . . . 0.0 115.04 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.06 83.76 1.73 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.14 1.352 . . . . 0.0 114.093 178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 14' ' ' LEU . 58.7 mt -120.46 -158.28 0.74 Allowed 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 124.943 1.297 . . . . 0.0 111.509 177.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.1 m -89.38 -147.28 0.17 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 124.125 0.97 . . . . 0.0 110.643 176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 14.2 mt -113.38 -95.27 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 C-N-CA 124.975 1.31 . . . . 0.0 110.313 177.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -46.46 88.34 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 124.34 1.056 . . . . 0.0 110.668 178.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -57.06 -37.9 72.49 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.938 1.829 . . . . 0.0 115.938 168.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.87 -48.83 80.01 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 121.761 2.073 . . . . 0.0 111.572 173.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -55.85 -47.46 77.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 118.779 0.718 . . . . 0.0 112.875 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -70.01 -23.9 63.21 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 120.95 -1.094 . . . . 0.0 113.666 175.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -74.28 -52.12 13.24 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 118.657 0.662 . . . . 0.0 109.673 174.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.95 -47.49 5.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 126.843 2.057 . . . . 0.0 115.173 171.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -75.07 -39.75 60.64 Favored 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -74.75 -2.88 28.45 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 115.52 1.674 . . . . 0.0 115.52 169.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -96.7 -69.0 0.77 Allowed 'General case' 0 CA--C 1.498 -1.041 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 173.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.689 HG22 ' H ' ' A' ' 33' ' ' THR . 5.8 p 178.6 -122.26 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.555 1.151 0 CA-C-N 120.237 1.38 . . . . 0.0 107.614 -176.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.689 ' H ' HG22 ' A' ' 32' ' ' VAL . 28.1 m -102.75 -74.08 0.64 Allowed 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 127.697 2.399 . . . . 0.0 114.571 168.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 22.7 t80 -163.47 -51.77 0.04 OUTLIER 'General case' 0 N--CA 1.493 1.691 1 CA-C-N 126.084 4.038 . . . . 0.0 107.928 -169.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -81.74 -36.4 28.62 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 125.654 1.582 . . . . 0.0 113.821 -178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.571 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -60.54 -52.03 66.93 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 122.826 0.45 . . . . 0.0 111.082 171.134 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.29 -41.58 89.6 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.055 -1.028 . . . . 0.0 110.796 -179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.445 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.4 tt -47.42 -45.31 25.4 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.663 0.602 . . . . 0.0 110.998 173.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -68.39 -44.57 74.82 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 124.651 1.18 . . . . 0.0 113.974 176.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.62 -49.82 71.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.064 0.945 . . . . 0.0 111.417 -178.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -61.1 -38.64 87.02 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.422 1.889 . . . . 0.0 111.74 172.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -55.85 -36.4 67.5 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 118.93 0.786 . . . . 0.0 112.436 170.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.82 -25.76 59.24 Favored 'General case' 0 CA--C 1.551 0.982 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.3 ttmt -151.31 84.75 1.32 Allowed 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 125.415 1.486 . . . . 0.0 112.43 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.02 0.49 25.68 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.318 1.047 . . . . 0.0 113.321 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.87 151.68 41.78 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.815 1.246 . . . . 0.0 113.314 177.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 . . . . . 0 C--O 1.248 1.021 0 C-N-CA 127.615 2.366 . . . . 0.0 110.702 -172.563 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 N-CA-C 110.259 -0.274 . . . . 0.01 110.259 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mp 60.62 -71.06 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 128.558 2.743 . . . . 0.0 113.366 -169.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.0 m -101.61 169.99 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 C-N-CA 127.153 2.181 . . . . 0.0 110.309 173.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -154.87 84.33 1.09 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 121.658 -0.651 . . . . 0.0 111.819 175.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.93 -37.12 68.53 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.59 -51.89 67.46 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.017 0.527 . . . . 0.0 110.769 173.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -57.76 -46.67 84.19 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 118.308 0.504 . . . . 0.0 111.072 178.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -65.15 -39.57 93.16 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.815 1.246 . . . . 0.0 113.768 -177.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mmt -66.54 -52.91 40.57 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.613 -0.679 . . . . 0.0 112.074 173.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -55.69 -42.02 74.6 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.213 0.605 . . . . 0.0 111.956 175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.452 HG23 HG22 ' A' ' 25' ' ' THR . 44.7 mt -59.85 -45.78 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 124.697 1.199 . . . . 0.0 112.361 174.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.67 70.78 Favored 'General case' 0 CA--C 1.548 0.901 0 O-C-N 120.911 -1.118 . . . . 0.0 112.261 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.16 -44.0 95.34 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.928 1.291 . . . . 0.0 113.348 170.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.25 -40.31 93.56 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 120.211 1.369 . . . . 0.0 112.496 172.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -26.14 64.6 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 172.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 t -74.23 -50.75 17.75 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 119.188 0.903 . . . . 0.0 111.731 171.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.427 HD22 ' OH ' ' A' ' 37' ' ' TYR . 7.8 mp -54.61 -21.79 11.52 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 116.083 1.882 . . . . 0.0 116.083 175.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.05 45.96 2.13 Favored Glycine 0 N--CA 1.477 1.397 0 CA-C-N 119.577 1.08 . . . . 0.0 114.205 171.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.7 mt -102.6 -166.09 1.25 Allowed 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.471 1.508 . . . . 0.0 112.125 -173.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.1 m -79.66 -151.23 0.06 Allowed 'General case' 0 CA--C 1.564 1.518 0 C-N-CA 124.625 1.17 . . . . 0.0 111.483 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.648 HG23 ' H ' ' A' ' 22' ' ' GLU . 16.2 tt -108.66 -83.67 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.191 0 O-C-N 120.749 -1.219 . . . . 0.0 113.337 172.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.648 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.8 mt-10 -76.71 -47.73 21.01 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 118.85 0.75 . . . . 0.0 110.597 -173.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -52.16 -41.37 62.53 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.493 1.117 . . . . 0.0 112.062 169.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.42 -49.87 75.84 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 119.205 -0.426 . . . . 0.0 111.835 175.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 21' ' ' ILE . 10.0 p -60.94 -40.15 92.19 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 178.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -69.47 -54.56 13.68 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 121.089 -1.007 . . . . 0.0 109.563 179.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -53.58 -37.64 63.14 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.85 1.66 . . . . 0.0 114.498 176.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.1 -64.29 0.86 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.306 1.042 . . . . 0.0 110.371 170.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.95 -33.01 71.35 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 175.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.86 -36.06 62.34 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.971 -171.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -77.96 -48.43 16.28 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 120.916 1.689 . . . . 0.0 112.992 169.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.618 HG13 ' N ' ' A' ' 33' ' ' THR . 4.4 p -175.67 -137.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 118.058 2.614 . . . . 0.0 118.058 -168.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.618 ' N ' HG13 ' A' ' 32' ' ' VAL . 17.7 p -108.59 -69.94 0.83 Allowed 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 129.717 3.207 . . . . 0.0 113.641 -176.108 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -164.77 -55.86 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.958 0 O-C-N 117.856 -3.028 . . . . 0.0 107.718 -173.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.18 -34.56 25.94 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.942 0.719 . . . . 0.0 112.942 -173.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.487 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.58 -49.92 74.7 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.229 0.612 . . . . 0.0 112.187 171.43 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.492 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -69.94 -39.75 75.89 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 120.091 1.314 . . . . 0.0 109.888 179.695 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 17' ' ' LEU . 7.0 tt -49.97 -45.83 51.86 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 118.204 0.456 . . . . 0.0 110.589 173.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -64.57 -47.31 79.18 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.041 0.937 . . . . 0.0 112.997 175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.2 mt -62.91 -54.54 32.33 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-N 119.033 0.833 . . . . 0.0 111.569 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -59.9 -44.22 94.39 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 127.292 2.237 . . . . 0.0 112.527 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.1 tttp -59.8 -39.5 85.2 Favored 'General case' 0 CA--C 1.55 0.953 0 C-N-CA 123.38 0.672 . . . . 0.0 112.098 173.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.6 t -76.47 -26.1 55.0 Favored 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 176.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.6 pttt -169.43 140.27 2.25 Favored 'General case' 0 CA--C 1.551 0.992 0 C-N-CA 126.555 1.942 . . . . 0.0 112.865 176.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -133.15 136.78 45.95 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 120.359 -1.463 . . . . 0.0 110.948 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 mtpt -67.25 177.31 1.88 Allowed 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 170.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.092 0 C-N-CA 126.039 1.736 . . . . 0.0 110.622 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 119.298 -0.382 . . . . 0.01 111.979 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 29.9 mt -46.28 140.35 4.13 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.994 1.318 . . . . 0.0 113.205 173.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 33.4 m -55.62 144.33 7.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.031 0 C-N-CA 124.711 1.205 . . . . 0.0 113.086 -178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -84.64 -23.78 29.36 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.986 1.106 . . . . 0.0 113.986 176.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.83 -36.65 85.04 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 123.829 0.851 . . . . 0.0 113.038 177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 p -61.85 -39.99 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 O-C-N 121.911 -0.493 . . . . 0.0 111.316 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -60.08 -49.14 78.84 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-O 118.85 -0.595 . . . . 0.0 110.878 174.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.41 -39.31 72.82 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.844 1.202 . . . . 0.0 114.188 178.008 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -67.75 -49.85 60.31 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.468 0.914 . . . . 0.0 113.468 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.26 -29.96 70.78 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.073 0.949 . . . . 0.0 112.456 177.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 66.6 mt -69.67 -36.46 70.55 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 C-N-CA 125.198 1.399 . . . . 0.0 111.804 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.73 -38.21 86.2 Favored 'General case' 0 CA--C 1.548 0.898 0 O-C-N 120.73 -1.231 . . . . 0.0 111.692 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.55 -38.67 60.3 Favored 'General case' 0 CA--C 1.551 1.008 0 C-N-CA 123.839 0.856 . . . . 0.0 111.835 169.296 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HB3' HD12 ' A' ' 19' ' ' LEU . 16.8 mt -63.74 -44.64 92.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 120.892 -1.13 . . . . 0.0 112.979 177.256 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 1.3 mtt -57.04 -19.66 20.07 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.718 1.207 . . . . 0.0 113.227 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.6 t -78.04 -32.29 50.88 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 115.716 1.747 . . . . 0.0 115.716 170.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.9 mp -77.5 -44.78 27.62 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 120.918 1.69 . . . . 0.0 111.166 169.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.52 99.88 2.39 Favored Glycine 0 CA--C 1.542 1.744 0 C-N-CA 125.167 1.365 . . . . 0.0 113.442 -173.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.57 HD12 ' HB3' ' A' ' 14' ' ' LEU . 80.9 mt -136.02 -159.64 0.98 Allowed 'General case' 0 CA--C 1.569 1.704 0 C-N-CA 126.623 1.969 . . . . 0.0 113.357 178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.4 m -93.03 -138.57 0.19 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 128.239 2.616 . . . . 0.0 112.693 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 24.1 mt -120.03 -97.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 125.78 1.632 . . . . 0.0 108.724 175.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -68.06 -17.09 64.29 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.268 -1.52 . . . . 0.0 113.543 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -81.25 -38.9 26.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.438 170.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.28 87.01 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 120.997 1.726 . . . . 0.0 113.589 175.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.2 t -69.13 -49.73 54.38 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 118.514 0.597 . . . . 0.0 110.855 -176.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -64.47 -21.91 66.81 Favored 'General case' 0 N--CA 1.47 0.551 0 O-C-N 120.889 -1.132 . . . . 0.0 113.231 175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -79.39 -46.1 18.23 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.797 1.18 . . . . 0.0 110.297 172.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -49.82 23.79 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 125.399 1.48 . . . . 0.0 114.284 172.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -69.48 -47.97 62.2 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -69.12 -1.46 7.79 Favored 'General case' 0 CA--C 1.552 1.028 0 N-CA-C 115.943 1.831 . . . . 0.0 115.943 173.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -101.27 -66.27 0.92 Allowed 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 107.398 -1.334 . . . . 0.0 107.398 170.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.896 HG13 ' H ' ' A' ' 33' ' ' THR . 4.6 p -170.26 -102.13 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.562 1.413 0 CA-C-N 120.904 1.684 . . . . 0.0 109.218 177.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.896 ' H ' HG13 ' A' ' 32' ' ' VAL . 10.2 p -133.43 -50.49 0.86 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 128.323 2.649 . . . . 0.0 115.39 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -175.99 -78.68 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.979 0 O-C-N 119.032 -2.293 . . . . 0.0 109.461 -172.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -68.31 -32.18 72.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.558 -1.339 . . . . 0.0 113.539 -176.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.715 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -62.84 -46.49 87.65 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 119.149 -0.453 . . . . 0.0 111.885 176.081 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.414 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.5 OUTLIER -73.45 -35.76 65.8 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.802 1.183 . . . . 0.0 110.97 178.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.8 tt -53.07 -45.31 68.08 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 118.54 0.609 . . . . 0.0 110.544 171.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -48.42 71.66 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.022 0.828 . . . . 0.0 111.567 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.11 -50.79 78.83 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 124.188 0.995 . . . . 0.0 112.406 179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -70.74 -32.76 70.03 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 125.794 1.638 . . . . 0.0 113.511 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.1 tttt -71.96 -37.42 69.95 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.492 -0.755 . . . . 0.0 111.453 174.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.75 -56.95 14.44 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 169.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.3 tttt 79.57 -63.02 0.26 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 126.617 1.967 . . . . 0.0 109.855 170.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.6 mt-30 39.17 31.06 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 127.978 2.511 . . . . 0.0 115.482 177.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -152.96 132.66 13.11 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 126.096 1.758 . . . . 0.0 109.477 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 125.881 1.673 . . . . 0.0 111.651 -177.176 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.276 0 N-CA-C 110.351 -0.24 . . . . 0.01 110.351 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -166.34 -57.88 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 125.344 1.458 . . . . 0.0 113.934 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.3 p -129.4 2.51 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 C-N-CA 126.002 1.721 . . . . 0.0 112.782 -179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -73.96 16.45 0.23 Allowed 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 128.035 2.534 . . . . 0.0 114.053 173.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -50.8 -45.29 59.25 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-N 120.855 1.661 . . . . 0.0 113.779 177.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 40.1 t -59.72 -50.96 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 C-N-CA 124.137 0.975 . . . . 0.0 110.572 173.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -58.41 -46.41 86.49 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 118.478 -0.772 . . . . 0.0 111.125 177.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.72 -43.62 96.01 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.473 1.488 . . . . 0.0 111.78 -174.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -61.36 2.59 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.536 0.735 . . . . 0.0 112.882 171.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.85 -36.23 26.1 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.071 0.948 . . . . 0.0 112.601 175.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.446 ' HA ' HD13 ' A' ' 14' ' ' LEU . 43.5 mt -72.18 -43.52 65.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 C-N-CA 125.174 1.389 . . . . 0.0 111.365 175.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.21 -29.41 68.71 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 119.235 -2.166 . . . . 0.0 112.2 171.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.449 HH11 ' HA ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.35 -36.92 76.6 Favored 'General case' 0 CA--C 1.547 0.863 0 O-C-N 121.377 -0.827 . . . . 0.0 112.612 169.456 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.8 mp -65.03 -38.24 90.23 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.661 1.356 . . . . 0.0 114.661 168.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 32.0 ttm -62.69 -37.36 86.15 Favored 'General case' 0 CA--C 1.545 0.773 0 O-C-N 121.231 -0.918 . . . . 0.0 112.488 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.74 -56.83 15.1 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 123.838 0.855 . . . . 0.0 112.281 172.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.537 HD11 HD12 ' A' ' 38' ' ' LEU . 68.4 mt -58.76 -21.08 54.77 Favored 'General case' 0 CA--C 1.551 0.995 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 175.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.38 87.8 1.18 Allowed Glycine 0 C--N 1.34 0.78 0 N-CA-C 110.038 -1.225 . . . . 0.0 110.038 175.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.437 HD13 HD23 ' A' ' 14' ' ' LEU . 51.5 mt -137.81 -179.05 5.53 Favored 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 123.44 0.696 . . . . 0.0 111.519 -175.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.1 m -58.94 -157.35 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 126.584 1.954 . . . . 0.0 114.509 174.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.758 HG23 ' H ' ' A' ' 22' ' ' GLU . 10.0 tt -116.77 -97.55 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 N-CA-C 106.504 -1.665 . . . . 0.0 106.504 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.758 ' H ' HG23 ' A' ' 21' ' ' ILE . 6.2 tt0 -67.12 -27.01 66.97 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 126.203 1.801 . . . . 0.0 113.759 175.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -73.71 -40.98 63.2 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 118.881 -0.581 . . . . 0.0 111.344 173.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.34 -50.64 69.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 119.412 1.005 . . . . 0.0 111.237 170.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.8 p -54.26 -45.66 72.46 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.96 0.886 . . . . 0.0 112.273 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.73 -38.62 87.03 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.63 0.772 . . . . 0.0 112.803 175.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -68.1 -50.86 52.24 Favored 'General case' 0 C--O 1.221 -0.439 0 CA-C-N 119.957 1.253 . . . . 0.0 111.671 178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.754 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -44.4 -47.49 9.8 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.652 1.181 . . . . 0.0 113.937 172.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -74.25 -32.62 63.03 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 176.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -78.1 -25.25 47.46 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.73 1.381 . . . . 0.0 114.73 176.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -78.57 -76.9 0.18 Allowed 'General case' 0 C--O 1.231 0.122 0 N-CA-C 105.066 -2.198 . . . . 0.0 105.066 169.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 ' H ' ' A' ' 33' ' ' THR . 7.5 p -157.08 -95.57 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 N-CA-C 116.169 1.915 . . . . 0.0 116.169 -176.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.922 ' H ' HG13 ' A' ' 32' ' ' VAL . 41.7 m -149.05 -39.08 0.16 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 128.096 2.558 . . . . 0.0 112.318 -169.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.413 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 51.8 t80 171.05 -87.71 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 127.949 2.499 . . . . 0.0 113.57 -178.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.74 -39.27 76.96 Favored 'General case' 0 N--CA 1.495 1.793 0 CA-C-N 120.164 1.347 . . . . 0.0 113.47 -173.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.609 ' CB ' HG11 ' A' ' 32' ' ' VAL . 1.3 mtt-85 -56.43 -47.97 77.97 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 114.553 -1.203 . . . . 0.0 112.093 171.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.52 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -70.94 -36.76 72.75 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 121.075 1.761 . . . . 0.0 110.618 178.082 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD12 HD11 ' A' ' 17' ' ' LEU . 1.9 tt -55.21 -52.51 63.11 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-N 119.841 1.2 . . . . 0.0 110.54 177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -56.5 -42.39 78.26 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 125.036 1.334 . . . . 0.0 113.158 174.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -66.94 -43.44 89.3 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 122.908 0.483 . . . . 0.0 111.638 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.6 mt -69.8 -46.37 65.86 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.148 1.779 . . . . 0.0 112.168 -177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -56.98 -45.77 82.69 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.46 1.104 . . . . 0.0 111.964 172.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.8 t -59.33 -49.67 76.91 Favored 'General case' 0 CA--C 1.551 1.005 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.407 175.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -64.93 -176.9 0.3 Allowed 'General case' 0 CA--C 1.557 1.215 0 C-N-CA 126.266 1.826 . . . . 0.0 114.885 170.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -96.95 174.19 6.9 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 126.754 2.021 . . . . 0.0 112.186 170.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt 51.19 35.51 13.53 Favored 'General case' 0 CA--C 1.554 1.135 0 N-CA-C 114.228 1.196 . . . . 0.0 114.228 -179.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 127.422 2.289 . . . . 0.0 114.152 171.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.466 0.174 . . . . 0.01 111.06 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mp -133.98 103.18 5.7 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 125.638 1.575 . . . . 0.0 110.718 175.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 m -146.3 146.5 18.97 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 126.661 1.984 . . . . 0.0 109.957 -177.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -56.59 -18.47 11.99 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.482 1.29 . . . . 0.0 114.482 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -54.13 -35.65 62.44 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 125.717 1.607 . . . . 0.0 114.102 171.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.7 p -66.15 -41.39 89.29 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 CA-C-N 118.391 0.542 . . . . 0.0 111.769 175.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.4 mttm -63.45 -47.05 83.47 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 118.169 -0.92 . . . . 0.0 109.816 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.51 -44.2 68.92 Favored 'General case' 0 N--CA 1.482 1.175 0 CA-C-N 119.891 1.223 . . . . 0.0 113.449 175.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.9 mtt -58.91 -47.49 84.8 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 172.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.65 -35.49 80.29 Favored 'General case' 0 N--CA 1.475 0.825 0 N-CA-C 113.335 0.865 . . . . 0.0 113.335 175.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 mt -61.86 -44.81 99.38 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.797 0 C-N-CA 125.35 1.46 . . . . 0.0 111.127 174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.24 79.86 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.909 -1.12 . . . . 0.0 112.5 171.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.442 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -56.28 -46.7 79.6 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-O 118.038 -0.982 . . . . 0.0 111.627 169.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.606 HD23 HD13 ' A' ' 19' ' ' LEU . 6.1 mp -53.21 -42.64 66.51 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 120.663 1.574 . . . . 0.0 114.781 172.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 3.2 ttt -55.55 -35.27 65.52 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 175.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -55.56 -47.76 75.87 Favored 'General case' 0 CA--C 1.549 0.929 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.785 HD23 HD13 ' A' ' 38' ' ' LEU . 3.7 mp -69.32 -32.3 71.32 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 177.334 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.56 73.34 0.88 Allowed Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.276 0.944 . . . . 0.0 113.004 176.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.606 HD13 HD23 ' A' ' 14' ' ' LEU . 3.5 mt -128.28 175.32 8.56 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 125.97 1.708 . . . . 0.0 111.322 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.456 ' HB2' ' H ' ' A' ' 24' ' ' ALA . 1.9 m -58.15 -161.2 0.0 OUTLIER 'General case' 0 CA--C 1.559 1.323 0 C-N-CA 126.352 1.861 . . . . 0.0 113.802 177.398 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.791 HG23 ' H ' ' A' ' 22' ' ' GLU . 10.2 tt -107.73 -102.99 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 O-C-N 120.182 -1.574 . . . . 0.0 109.49 172.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.791 ' H ' HG23 ' A' ' 21' ' ' ILE . 43.9 mt-10 -54.63 -43.62 72.46 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.179 1.792 . . . . 0.0 112.382 -178.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -62.57 -48.79 77.89 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 121.379 -0.826 . . . . 0.0 113.203 171.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.456 ' H ' ' HB2' ' A' ' 20' ' ' SER . . . -50.18 -41.3 49.15 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-O 118.222 -0.894 . . . . 0.0 112.054 172.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.482 HG23 ' O ' ' A' ' 21' ' ' ILE . 1.4 p -62.85 -51.96 64.99 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 118.883 0.765 . . . . 0.0 112.149 177.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.95 -54.01 51.15 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 121.283 -0.886 . . . . 0.0 112.011 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -47.58 -55.9 8.29 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 125.301 1.44 . . . . 0.0 112.604 172.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.446 ' HB2' HD21 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -39.36 -53.44 1.98 Allowed 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.554 1.142 . . . . 0.0 112.024 175.152 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -71.98 -37.99 69.78 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.787 1.235 . . . . 0.0 114.112 -177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -75.24 -31.04 60.71 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 125.916 1.687 . . . . 0.0 115.526 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.13 -65.75 0.63 Allowed 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 112.794 -2.003 . . . . 0.0 107.184 168.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.61 HG22 ' H ' ' A' ' 33' ' ' THR . 11.5 p 176.72 -132.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.536 3.83 1 O-C-N 129.34 4.15 . . . . 0.0 118.046 -169.714 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.61 ' H ' HG22 ' A' ' 32' ' ' VAL . 27.9 m -106.52 -53.53 2.61 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.733 2.013 . . . . 0.0 114.312 178.3 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.659 ' CE1' HD11 ' A' ' 17' ' ' LEU . 55.5 t80 -177.53 -56.81 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.374 0 CA-C-N 125.911 3.96 . . . . 0.0 109.645 -174.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -80.07 -35.61 36.78 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 126.2 1.8 . . . . 0.0 112.756 -174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.553 ' CB ' HG11 ' A' ' 32' ' ' VAL . 2.0 mpt_? -64.95 -54.28 33.13 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.907 -0.568 . . . . 0.0 110.64 170.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.529 ' OH ' HD13 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -62.09 -47.56 84.07 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 120.329 1.422 . . . . 0.0 109.241 -177.181 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.785 HD13 HD23 ' A' ' 17' ' ' LEU . 7.9 tp -45.82 -44.24 13.99 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 123.6 0.563 . . . . 0.0 111.872 175.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.49 -41.2 80.43 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 177.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.1 mt -70.75 -49.83 48.35 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.873 0 C-N-CA 124.649 1.18 . . . . 0.0 110.813 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -58.34 -45.87 87.3 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 127.499 2.32 . . . . 0.0 111.414 173.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mtpt -53.92 -33.43 56.64 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 173.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.38 -47.8 53.94 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.931 0.492 . . . . 0.0 112.173 170.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.95 102.65 4.45 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.219 1.808 . . . . 0.0 113.278 177.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.34 119.62 23.3 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.088 0.955 . . . . 0.0 110.654 171.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.27 97.36 0.02 OUTLIER 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.682 1.993 . . . . 0.0 114.397 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.142 0 C-N-CA 125.634 1.574 . . . . 0.0 111.225 -177.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.436 0 N-CA-C 112.206 0.447 . . . . 0.01 112.206 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 12.2 mt -59.95 114.14 2.67 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 120.863 -1.148 . . . . 0.0 111.461 177.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.3 t -58.98 124.2 12.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 C-N-CA 124.738 1.215 . . . . 0.0 110.311 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -56.32 -29.8 61.74 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.88 -39.05 76.91 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 125.459 1.504 . . . . 0.0 113.988 172.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 57.3 t -63.03 -49.96 81.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.938 0 CA-C-O 118.969 -0.539 . . . . 0.0 109.663 170.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.42 -50.75 64.54 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-O 118.556 -0.735 . . . . 0.0 111.271 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -56.2 -48.09 77.08 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.897 1.226 . . . . 0.0 113.565 177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.1 mtt -59.34 -47.04 86.91 Favored 'General case' 0 N--CA 1.483 1.178 0 CA-C-N 119.808 1.185 . . . . 0.0 114.113 175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.21 -35.57 80.76 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.254 1.022 . . . . 0.0 112.162 177.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.0 mt -68.81 -43.65 82.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 125.82 1.648 . . . . 0.0 111.512 173.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.01 -38.17 81.88 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.271 -1.518 . . . . 0.0 111.894 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.06 -40.56 67.28 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.099 0.96 . . . . 0.0 112.122 169.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.0 mt -58.76 -45.65 89.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.6 tpt -56.42 -34.69 67.02 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 176.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -34.53 72.32 Favored 'General case' 0 CA--C 1.551 0.993 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 173.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.579 HD13 ' OH ' ' A' ' 37' ' ' TYR . 5.8 mp -78.68 -31.86 46.81 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 171.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 98.84 97.11 2.07 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.278 0.942 . . . . 0.0 111.093 -174.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.5 mt -146.45 178.07 8.55 Favored 'General case' 0 CA--C 1.553 1.065 0 C-N-CA 126.132 1.773 . . . . 0.0 111.656 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -63.38 -173.42 0.06 Allowed 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.225 1.81 . . . . 0.0 114.312 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.695 HG23 ' H ' ' A' ' 22' ' ' GLU . 16.7 tt -83.64 -116.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.123 0 C-N-CA 125.148 1.379 . . . . 0.0 111.091 167.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.695 ' H ' HG23 ' A' ' 21' ' ' ILE . 3.0 mt-10 -49.87 -42.48 47.79 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.555 1.942 . . . . 0.0 114.028 -175.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -62.51 -41.74 99.04 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 118.705 -0.664 . . . . 0.0 112.321 175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.81 -41.58 87.14 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 117.927 -1.035 . . . . 0.0 112.201 170.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -63.65 -52.14 62.07 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-N 119.933 1.242 . . . . 0.0 111.634 -179.196 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -59.14 -40.85 86.78 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 121.26 -0.9 . . . . 0.0 112.794 175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -63.5 -46.52 85.72 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 124.797 1.239 . . . . 0.0 112.229 176.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.73 -55.24 9.98 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.403 1.481 . . . . 0.0 111.607 174.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -66.81 -44.59 80.81 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -66.03 -27.04 67.81 Favored 'General case' 0 CA--C 1.549 0.916 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 179.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -79.97 -66.4 0.88 Allowed 'General case' 0 CA--C 1.548 0.899 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 172.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.688 HG13 ' H ' ' A' ' 33' ' ' THR . 12.2 p -167.42 -123.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 N-CA-C 116.032 1.864 . . . . 0.0 116.032 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.688 ' H ' HG13 ' A' ' 32' ' ' VAL . 26.8 p -123.06 -35.07 3.06 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 127.419 2.288 . . . . 0.0 116.316 -174.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 91.3 t80 172.71 -78.99 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 128.066 2.546 . . . . 0.0 109.472 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.88 -38.04 81.09 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -171.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.673 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.56 -49.37 73.69 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 174.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.579 ' OH ' HD13 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -68.88 -40.41 79.28 Favored 'General case' 0 N--CA 1.47 0.535 0 O-C-N 121.118 -0.988 . . . . 0.0 110.016 -174.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.407 HD12 HD21 ' A' ' 17' ' ' LEU . 6.0 tt -47.71 -57.37 5.63 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.594 1.158 . . . . 0.0 110.078 171.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -52.93 -38.51 62.01 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.455 1.102 . . . . 0.0 112.393 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.7 mt -78.36 -36.66 20.87 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.131 0 C-N-CA 125.428 1.491 . . . . 0.0 113.486 178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.464 HD12 ' HE1' ' A' ' 37' ' ' TYR . 7.5 mt -72.13 -45.24 61.35 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.422 1.489 . . . . 0.0 111.3 178.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -33.5 70.64 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 125.759 1.624 . . . . 0.0 112.768 169.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -62.02 -47.69 83.65 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.037 169.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.4 tttt 65.76 92.15 0.08 Allowed 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.916 2.087 . . . . 0.0 113.463 170.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -148.0 20.27 1.12 Allowed 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.806 1.409 . . . . 0.0 114.806 -171.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.8 156.04 0.09 Allowed 'General case' 0 CA--C 1.554 1.132 0 C-N-CA 126.552 1.941 . . . . 0.0 112.804 -172.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 . . . . . 0 N--CA 1.482 1.17 0 C-N-CA 125.69 1.596 . . . . 0.0 111.649 -174.442 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 119.49 -0.29 . . . . 0.01 110.799 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.36 87.85 0.86 Allowed 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.405 1.082 . . . . 0.0 111.818 172.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.4 t -133.3 128.39 55.41 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 125.258 1.423 . . . . 0.0 109.675 174.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 48.75 30.61 2.68 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 125.693 1.597 . . . . 0.0 113.776 -174.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -39.11 83.85 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 124.376 1.07 . . . . 0.0 113.054 -172.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 73.8 t -61.2 -47.61 92.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.389 1.076 . . . . 0.0 111.46 171.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -60.94 -51.97 67.03 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 117.892 -1.052 . . . . 0.0 111.945 176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.72 -52.4 40.76 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 120.612 1.551 . . . . 0.0 112.927 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.2 ttm -59.94 -39.52 85.79 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.353 -0.84 . . . . 0.0 112.505 179.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.38 -37.03 74.47 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 117.572 -1.204 . . . . 0.0 113.162 172.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.624 HD11 HG23 ' A' ' 25' ' ' THR . 25.0 mt -66.92 -41.31 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.735 0 CA-C-N 122.524 2.42 . . . . 0.0 111.236 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -51.66 -37.4 50.27 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.508 -0.745 . . . . 0.0 112.202 169.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HB3' ' CD1' ' A' ' 34' ' ' TYR . 7.0 mtt-85 -61.61 -36.41 80.66 Favored 'General case' 0 CA--C 1.562 1.415 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 169.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.724 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.5 mp -63.0 -49.8 73.24 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 120.367 -1.458 . . . . 0.0 113.237 169.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.65 -44.19 37.36 Favored 'General case' 0 N--CA 1.476 0.845 0 CA-C-N 119.597 1.09 . . . . 0.0 113.649 171.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.4 t -55.15 -42.41 73.07 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 174.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.635 HD11 HD12 ' A' ' 38' ' ' LEU . 25.2 mt -74.51 -20.31 60.03 Favored 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 115.686 1.736 . . . . 0.0 115.686 172.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.88 66.04 0.8 Allowed Glycine 0 N--CA 1.475 1.243 0 CA-C-N 122.144 2.247 . . . . 0.0 110.704 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.48 HD13 HD23 ' A' ' 14' ' ' LEU . 29.8 mt -137.42 178.59 6.98 Favored 'General case' 0 CA--C 1.565 1.524 0 C-N-CA 125.71 1.604 . . . . 0.0 111.298 -169.085 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 13.8 m -63.44 -159.99 0.01 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 127.154 2.182 . . . . 0.0 112.951 -177.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 79.0 mt -123.55 -83.86 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 119.911 -1.743 . . . . 0.0 111.218 178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -73.58 -32.3 64.05 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.544 0.738 . . . . 0.0 111.619 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.18 -45.83 58.77 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.504 173.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.446 ' HB1' HD22 ' A' ' 14' ' ' LEU . . . -56.44 -46.56 80.24 Favored 'General case' 0 C--O 1.222 -0.367 0 CA-C-N 120.568 1.531 . . . . 0.0 113.034 169.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.624 HG23 HD11 ' A' ' 11' ' ' ILE . 48.4 m -49.94 -42.93 49.56 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.112 1.324 . . . . 0.0 113.802 175.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.35 -31.67 62.5 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 118.158 -0.925 . . . . 0.0 113.341 173.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -67.76 -60.67 2.35 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 119.865 1.212 . . . . 0.0 109.453 177.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.724 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -36.54 -62.27 0.47 Allowed 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 126.185 1.794 . . . . 0.0 115.108 169.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -60.75 -30.96 70.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 115.762 1.764 . . . . 0.0 115.762 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.2 m-80 -79.49 -47.75 15.08 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-O 121.747 0.784 . . . . 0.0 112.14 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.56 -69.65 0.11 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 127.094 2.158 . . . . 0.0 109.002 170.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.868 HG13 ' H ' ' A' ' 33' ' ' THR . 2.5 p -173.73 -72.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.567 1.61 0 N-CA-C 117.092 2.256 . . . . 0.0 117.092 175.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.868 ' H ' HG13 ' A' ' 32' ' ' VAL . 81.7 p -165.5 -58.06 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 C-N-CA 128.407 2.683 . . . . 0.0 110.492 -168.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.448 ' CD1' ' HB3' ' A' ' 13' ' ' ARG . 16.2 t80 178.15 -55.28 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 123.696 2.953 . . . . 0.0 110.615 169.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.62 -39.3 93.47 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 112.261 -2.245 . . . . 0.0 111.833 -179.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.719 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.2 OUTLIER -70.22 -46.3 64.81 Favored 'General case' 0 CA--C 1.548 0.901 0 CA-C-O 118.151 -0.928 . . . . 0.0 111.776 175.206 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -67.11 -43.86 81.4 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 122.118 2.235 . . . . 0.0 111.488 179.25 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.635 HD12 HD11 ' A' ' 17' ' ' LEU . 4.4 tt -44.26 -43.04 7.05 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.099 0.409 . . . . 0.0 110.746 171.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.23 -45.66 92.34 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 115.359 1.614 . . . . 0.0 115.359 171.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.3 mt -75.99 -46.27 35.0 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.933 0 CA-C-N 120.796 1.635 . . . . 0.0 112.546 -175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -54.5 -57.56 10.89 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.029 1.732 . . . . 0.0 110.897 171.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.1 tttp -58.3 -18.81 29.84 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-N 114.265 -1.334 . . . . 0.0 111.568 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.64 -38.23 21.81 Favored 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 167.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . 0.287 3.8 tttp 63.83 101.93 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 129.012 2.925 . . . . 0.0 115.85 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -139.24 -55.82 0.59 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.292 1.437 . . . . 0.0 114.145 -178.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -68.72 125.17 25.73 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 119.339 0.972 . . . . 0.0 111.008 175.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--O 1.25 1.109 0 C-N-CA 127.2 2.2 . . . . 0.0 110.663 -178.176 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 119.016 -0.516 . . . . 0.01 111.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.1 mp -76.53 -56.28 4.76 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 119.379 0.99 . . . . 0.0 113.141 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.7 t -68.4 135.43 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -63.22 12.9 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.571 1.948 . . . . 0.0 115.414 169.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -50.34 -39.85 47.39 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 127.016 2.126 . . . . 0.0 114.349 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.2 t -60.83 -52.25 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.735 0.814 . . . . 0.0 111.037 171.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.7 ttmt -60.5 -46.19 91.05 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.382 0.673 . . . . 0.0 110.779 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -57.93 -45.73 86.1 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 126.081 1.752 . . . . 0.0 112.391 176.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 28.0 ttm -58.38 -46.28 86.66 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 174.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 25.1 mm-40 -68.51 -43.05 77.64 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 121.288 -0.882 . . . . 0.0 111.304 178.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 67.0 mt -53.27 -39.0 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.211 0 C-N-CA 124.814 1.245 . . . . 0.0 112.334 170.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.11 -31.57 70.37 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 120.652 -1.28 . . . . 0.0 112.978 175.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -62.4 -30.85 71.51 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 121.004 -1.06 . . . . 0.0 112.958 169.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.628 ' HB3' HD12 ' A' ' 19' ' ' LEU . 10.4 mt -68.63 -47.62 66.15 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.942 1.297 . . . . 0.0 111.604 178.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.07 -45.94 64.95 Favored 'General case' 0 CA--C 1.546 0.8 0 CA-C-N 113.737 -1.574 . . . . 0.0 110.091 173.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.9 m -62.71 -16.95 59.71 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 117.76 2.504 . . . . 0.0 117.76 175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.8 mt -96.24 -35.88 11.11 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 119.975 1.261 . . . . 0.0 111.813 169.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.56 97.28 2.42 Favored Glycine 0 CA--C 1.537 1.411 0 C-N-CA 125.89 1.71 . . . . 0.0 110.81 -172.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.628 HD12 ' HB3' ' A' ' 14' ' ' LEU . 60.2 mt -143.71 178.84 7.53 Favored 'General case' 0 CA--C 1.562 1.432 0 C-N-CA 125.658 1.583 . . . . 0.0 112.173 173.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.6 m -73.16 -153.76 0.03 OUTLIER 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 126.887 2.075 . . . . 0.0 114.016 -177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.694 HG23 ' H ' ' A' ' 22' ' ' GLU 0.29 13.9 tt -103.41 -101.67 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 CA-C-O 116.728 -1.605 . . . . 0.0 113.232 174.649 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.694 ' H ' HG23 ' A' ' 21' ' ' ILE . 5.6 mt-10 -66.67 -45.93 77.33 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 123.035 2.652 . . . . 0.0 108.996 -175.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -50.39 -38.1 40.93 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 118.179 2.659 . . . . 0.0 118.179 167.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.11 -34.59 77.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 117.503 -1.679 . . . . 0.0 112.995 169.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.2 p -68.58 -58.96 3.51 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 -177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -55.62 -20.11 12.7 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 169.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -83.33 -31.18 26.96 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 118.473 0.578 . . . . 0.0 111.493 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -53.07 32.0 Favored 'General case' 0 C--N 1.332 -0.178 0 O-C-N 120.665 -1.272 . . . . 0.0 111.34 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -65.17 -48.95 71.69 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 123.433 0.693 . . . . 0.0 111.976 176.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -57.23 -40.35 77.35 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 118.906 -1.118 . . . . 0.0 111.506 177.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -66.5 -51.07 60.65 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 116.155 -1.878 . . . . 0.0 113.158 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.953 HG13 ' H ' ' A' ' 33' ' ' THR . 4.3 p 179.95 -102.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.573 1.845 0 CA-C-N 124.26 3.209 . . . . 0.0 108.151 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.953 ' H ' HG13 ' A' ' 32' ' ' VAL . 85.6 m -148.33 -72.31 0.2 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 129.262 3.025 . . . . 0.0 109.272 -178.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -151.68 -64.44 0.18 Allowed 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 118.034 2.605 . . . . 0.0 118.034 175.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.25 -35.57 81.43 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 118.84 0.745 . . . . 0.0 111.84 -171.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.578 ' CB ' HG11 ' A' ' 32' ' ' VAL . 6.1 mtt180 -60.22 -60.36 3.95 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 169.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -32.26 71.19 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 120.508 1.504 . . . . 0.0 111.226 -178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.455 ' C ' HD23 ' A' ' 38' ' ' LEU . 6.3 tt -57.83 -51.18 70.66 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-O 118.697 -0.668 . . . . 0.0 110.637 170.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -60.46 -54.76 41.68 Favored 'General case' 0 N--CA 1.48 1.036 0 CA-C-N 119.491 1.041 . . . . 0.0 112.289 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.2 mt -54.54 -56.25 11.17 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 124.481 1.112 . . . . 0.0 111.588 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.08 -33.06 74.92 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 126.201 1.8 . . . . 0.0 113.359 -178.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -35.06 70.65 Favored 'General case' 0 CA--C 1.546 0.794 0 O-C-N 121.299 -0.876 . . . . 0.0 111.869 174.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.8 t -69.53 -48.13 61.46 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.346 -0.846 . . . . 0.0 112.504 175.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.4 ptmt -169.85 -171.27 1.15 Allowed 'General case' 0 CA--C 1.55 0.964 0 C-N-CA 127.041 2.137 . . . . 0.0 111.048 -178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 71.1 139.69 0.05 OUTLIER 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 125.943 1.697 . . . . 0.0 112.873 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.2 160.01 0.05 Allowed 'General case' 0 CA--C 1.561 1.399 0 C-N-CA 124.707 1.203 . . . . 0.0 112.991 -170.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 . . . . . 0 N--CA 1.485 1.284 0 O-C-N 120.484 -1.385 . . . . 0.0 113.401 -177.792 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.421 0 N-CA-C 110.642 -0.132 . . . . 0.01 110.642 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.19 130.5 55.49 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.194 0.998 . . . . 0.0 111.162 173.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 32.7 m -147.53 165.27 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.082 0 C-N-CA 125.88 1.672 . . . . 0.0 111.897 -176.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -149.53 -22.8 0.28 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.608 1.563 . . . . 0.0 114.368 177.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -61.46 -35.81 78.65 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 121.507 -0.746 . . . . 0.0 112.881 175.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 p -59.69 -42.99 90.36 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.112 0.565 . . . . 0.0 111.136 173.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.8 ttpp -62.04 -50.33 72.42 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 124.187 0.995 . . . . 0.0 110.331 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -55.38 -50.71 68.99 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.626 1.17 . . . . 0.0 113.437 178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.8 mmt -57.83 -40.95 81.27 Favored 'General case' 0 N--CA 1.481 1.117 0 CA-C-O 122.121 0.962 . . . . 0.0 113.022 174.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.45 -39.47 90.95 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 114.312 -1.313 . . . . 0.0 113.019 172.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.459 ' HA ' HD13 ' A' ' 14' ' ' LEU . 8.7 mm -65.81 -41.11 89.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 CA-C-N 120.528 1.513 . . . . 0.0 110.928 174.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.43 -37.15 64.81 Favored 'General case' 0 CA--C 1.55 0.945 0 O-C-N 121.055 -1.028 . . . . 0.0 112.8 174.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -61.72 -38.28 87.32 Favored 'General case' 0 CA--C 1.551 0.991 0 N-CA-C 113.729 1.011 . . . . 0.0 113.729 170.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.769 HD11 ' HB2' ' A' ' 28' ' ' TYR . 5.5 mp -61.51 -43.96 97.93 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.536 1.062 . . . . 0.0 113.612 171.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 2.4 mtt -59.12 -37.57 77.53 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.464 1.029 . . . . 0.0 113.278 173.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.97 -41.16 91.34 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 113.094 0.775 . . . . 0.0 113.094 176.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.526 HD11 HD12 ' A' ' 38' ' ' LEU . 23.4 mt -75.82 -29.0 58.5 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 174.049 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.47 92.79 2.06 Favored Glycine 0 N--CA 1.47 0.901 0 C-N-CA 124.804 1.193 . . . . 0.0 111.319 -178.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.494 HD13 HD23 ' A' ' 14' ' ' LEU . 71.9 mt -146.51 178.08 8.56 Favored 'General case' 0 CA--C 1.56 1.356 0 C-N-CA 126.384 1.873 . . . . 0.0 110.608 -179.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.7 m -66.68 -163.43 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.498 1.519 . . . . 0.0 113.399 175.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.2 mp -106.06 -95.71 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 120.644 -1.285 . . . . 0.0 110.142 170.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -58.67 -41.66 86.68 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 120.414 1.461 . . . . 0.0 114.906 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -62.7 -42.01 99.42 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.867 0.467 . . . . 0.0 111.514 172.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.45 -44.05 84.42 Favored 'General case' 0 C--O 1.222 -0.361 0 CA-C-O 117.732 -1.128 . . . . 0.0 112.306 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 85.8 m -51.92 -57.95 7.92 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.71 1.595 . . . . 0.0 112.089 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -50.9 -49.78 58.73 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 118.257 -0.878 . . . . 0.0 112.663 173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -57.17 -49.99 74.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.616 1.098 . . . . 0.0 113.54 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.769 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -48.92 -58.59 4.61 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 125.404 1.481 . . . . 0.0 111.874 175.841 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.12 -38.59 91.61 Favored 'General case' 0 N--CA 1.482 1.164 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -71.79 -26.08 62.27 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.794 1.238 . . . . 0.0 114.038 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.54 -52.31 7.36 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.362 1.065 . . . . 0.0 109.443 170.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.713 HG13 ' H ' ' A' ' 33' ' ' THR . 14.5 p 176.31 -121.71 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 C-N-CA 127.862 2.465 . . . . 0.0 117.184 -171.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.713 ' H ' HG13 ' A' ' 32' ' ' VAL . 89.5 m -131.42 -34.33 1.4 Allowed 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.642 2.777 . . . . 0.0 112.545 -171.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HA ' ' CE2' ' A' ' 37' ' ' TYR . 56.5 t80 170.03 -84.63 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 126.905 2.082 . . . . 0.0 112.778 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -58.53 -35.95 73.09 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.362 0.983 . . . . 0.0 113.351 -171.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.631 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -58.44 -53.35 59.34 Favored 'General case' 0 CA--C 1.552 1.028 0 C-N-CA 123.877 0.871 . . . . 0.0 111.953 170.141 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CE2' ' HA ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -65.44 -40.09 92.84 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.945 1.248 . . . . 0.0 111.018 -179.476 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD12 HD11 ' A' ' 17' ' ' LEU . 2.8 tt -52.94 -48.16 67.53 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.087 0.955 . . . . 0.0 110.479 174.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.8 -42.67 89.63 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 175.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.6 mt -72.41 -39.12 62.44 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.106 0 C-N-CA 124.126 0.97 . . . . 0.0 112.508 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -69.75 -44.03 71.07 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.43 1.892 . . . . 0.0 111.479 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -57.56 -36.46 71.68 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 120.796 -1.19 . . . . 0.0 112.098 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.8 m -61.77 -60.12 4.13 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.821 169.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 23.4 mttt -75.31 81.23 2.41 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 171.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -70.96 28.65 0.04 OUTLIER 'General case' 0 N--CA 1.486 1.331 0 O-C-N 120.115 -1.616 . . . . 0.0 114.006 169.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -60.57 -32.83 71.9 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 126.223 1.809 . . . . 0.0 113.706 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--O 1.25 1.086 0 C-N-CA 126.838 2.055 . . . . 0.0 110.757 -178.665 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.309 0 N-CA-C 109.653 -0.499 . . . . 0.01 109.653 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 55.75 176.97 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.161 1.384 . . . . 0.0 112.549 -167.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . 0.267 9.1 p 47.52 25.25 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 C-N-CA 126.283 1.833 . . . . 0.0 114.522 -175.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -62.19 -15.11 44.29 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 120.218 -1.551 . . . . 0.0 113.961 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -61.45 -36.67 81.04 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.749 1.62 . . . . 0.0 113.25 169.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -66.32 -40.13 85.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 CA-C-N 118.268 0.485 . . . . 0.0 111.173 170.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -60.82 -51.31 69.84 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.798 0.839 . . . . 0.0 110.343 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -56.65 -42.43 78.91 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.418 1.487 . . . . 0.0 113.432 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.3 ttt -65.77 -44.88 84.5 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.48 -37.08 82.32 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.2 -0.937 . . . . 0.0 113.081 170.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.4 mt -60.7 -45.71 97.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 CA-C-N 119.625 1.102 . . . . 0.0 111.857 174.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.95 -35.72 67.0 Favored 'General case' 0 CA--C 1.553 1.058 0 O-C-N 121.473 -0.767 . . . . 0.0 112.835 173.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.6 -30.82 71.62 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 170.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' HB3' HD12 ' A' ' 19' ' ' LEU . 8.6 mt -68.93 -42.27 77.01 Favored 'General case' 0 N--CA 1.473 0.698 0 O-C-N 120.94 -1.1 . . . . 0.0 112.002 174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.18 -31.92 61.78 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.205 0.817 . . . . 0.0 113.205 171.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -65.58 -51.29 60.89 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 169.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.433 HD11 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -56.6 -40.15 74.8 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-N 119.659 1.118 . . . . 0.0 114.013 172.005 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.67 50.37 0.7 Allowed Glycine 0 CA--C 1.535 1.296 0 C-N-CA 125.362 1.458 . . . . 0.0 114.514 175.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD12 ' HB3' ' A' ' 14' ' ' LEU . 96.4 mt -88.55 -148.43 0.17 Allowed 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 121.745 2.772 . . . . 0.0 111.965 174.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.408 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 20.0 m -98.0 -123.7 0.14 Allowed 'General case' 0 CA--C 1.565 1.54 0 C-N-CA 126.923 2.089 . . . . 0.0 111.817 -174.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.02 -101.7 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 C-N-CA 126.091 1.756 . . . . 0.0 112.659 170.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.37 -36.21 78.86 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 123.416 2.825 . . . . 0.0 112.29 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -59.97 -36.76 77.81 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 114.956 -1.02 . . . . 0.0 111.304 169.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.408 ' HB2' ' H ' ' A' ' 20' ' ' SER . . . -62.74 -44.13 97.02 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-O 118.501 -0.761 . . . . 0.0 111.734 173.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 p -62.45 -48.13 80.99 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.113 0.869 . . . . 0.0 112.34 -178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.51 -40.21 96.45 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 120.708 -1.245 . . . . 0.0 112.94 174.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 34.7 t80 -60.57 -48.78 80.26 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-O 119.287 -0.387 . . . . 0.0 111.384 175.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -52.62 48.75 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 125.984 1.714 . . . . 0.0 112.088 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.67 -40.61 84.44 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 113.928 1.085 . . . . 0.0 113.928 -175.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -60.52 -61.37 2.64 Favored 'General case' 0 CA--C 1.557 1.214 0 CA-C-N 118.458 0.572 . . . . 0.0 109.46 169.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -47.38 -54.25 11.72 Favored 'General case' 0 N--CA 1.475 0.802 0 O-C-N 126.664 2.478 . . . . 0.0 107.721 -169.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.911 HG22 ' H ' ' A' ' 33' ' ' THR . 7.1 p 176.9 -137.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 C-N-CA 127.247 2.219 . . . . 0.0 113.372 169.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.911 ' H ' HG22 ' A' ' 32' ' ' VAL . 61.8 m -84.83 -54.68 4.52 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 127.771 2.429 . . . . 0.0 112.268 172.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.9 t80 173.75 -46.81 0.01 OUTLIER 'General case' 0 CA--C 1.573 1.845 0 O-C-N 116.935 -3.603 . . . . 0.0 107.811 -179.229 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.28 -38.55 78.42 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 128.265 2.626 . . . . 0.0 115.482 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.542 ' CB ' HG11 ' A' ' 32' ' ' VAL . 1.9 ttp180 -71.64 -49.44 39.96 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 119.837 1.199 . . . . 0.0 110.765 177.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -63.59 -43.66 96.31 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 120.826 -1.171 . . . . 0.0 111.209 175.426 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.433 HD12 HD11 ' A' ' 17' ' ' LEU . 1.4 tt -49.01 -39.84 28.44 Favored 'General case' 0 N--CA 1.475 0.816 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 174.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.56 -42.44 74.55 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 176.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.0 mt -70.37 -56.04 12.42 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.907 0 O-C-N 120.697 -1.252 . . . . 0.0 111.942 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.78 -43.63 90.46 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 126.538 1.935 . . . . 0.0 112.02 178.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -57.17 -32.42 66.41 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.509 0.724 . . . . 0.0 112.083 172.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.9 t -77.47 -36.48 52.76 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 172.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.7 -169.67 0.59 Allowed 'General case' 0 CA--C 1.558 1.257 0 C-N-CA 126.369 1.867 . . . . 0.0 111.771 168.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -145.9 142.98 29.27 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 120.491 -1.381 . . . . 0.0 111.468 176.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.4 97.79 2.6 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 124.136 0.974 . . . . 0.0 111.295 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.484 1.24 0 C-N-CA 127.656 2.382 . . . . 0.0 113.182 -177.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.534 0.207 . . . . 0.01 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.12 96.63 2.76 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.025 1.73 . . . . 0.0 110.686 179.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.1 t 62.65 148.41 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 C-N-CA 127.316 2.246 . . . . 0.0 113.623 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.35 -45.05 49.6 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 120.099 -1.626 . . . . 0.0 113.182 177.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -57.98 -46.76 84.66 Favored 'General case' 0 N--CA 1.489 1.475 0 C-N-CA 125.315 1.446 . . . . 0.0 113.832 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 39.3 t -60.82 -46.98 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 123.36 0.664 . . . . 0.0 110.906 174.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 mtpp -54.9 -52.55 62.54 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.302 175.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.46 -44.63 80.73 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 120.16 1.345 . . . . 0.0 113.995 179.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.2 mtt -63.45 -43.88 96.09 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.86 -39.77 91.04 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.262 0.625 . . . . 0.0 112.024 173.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 38.9 mt -60.18 -40.98 85.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 C-N-CA 125.021 1.328 . . . . 0.0 111.411 175.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.89 76.56 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 120.93 -1.106 . . . . 0.0 112.065 173.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.403 ' HD2' ' CD1' ' A' ' 34' ' ' TYR . 1.2 ttm180 -59.34 -44.58 92.62 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 124.631 1.173 . . . . 0.0 112.794 169.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.45 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -60.02 -39.32 85.47 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.923 -1.111 . . . . 0.0 113.011 174.666 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.29 -34.15 73.35 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 123.818 0.847 . . . . 0.0 112.163 175.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 t -62.1 -42.68 99.46 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 173.071 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 38' ' ' LEU . 7.2 mp -71.4 -4.87 28.71 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 115.527 1.677 . . . . 0.0 115.527 175.247 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.15 83.04 0.72 Allowed Glycine 0 CA--C 1.539 1.556 0 CA-C-N 120.179 1.354 . . . . 0.0 113.644 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 80.9 mt -145.49 170.82 15.65 Favored 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.313 1.845 . . . . 0.0 112.95 -178.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.3 m -62.68 -171.26 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 126.165 1.786 . . . . 0.0 113.851 177.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.572 ' O ' HG23 ' A' ' 25' ' ' THR . 2.3 mp -94.48 -86.12 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 O-C-N 120.241 -1.537 . . . . 0.0 111.66 172.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -73.76 -35.66 65.02 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-N 119.487 1.04 . . . . 0.0 112.513 -172.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.38 -44.6 90.86 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.567 170.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.4 -34.7 72.77 Favored 'General case' 0 CA--C 1.534 0.337 0 N-CA-C 114.32 1.23 . . . . 0.0 114.32 173.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.572 HG23 ' O ' ' A' ' 21' ' ' ILE . 11.9 p -73.09 -35.38 66.6 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 121.431 1.923 . . . . 0.0 112.126 -179.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.75 -34.92 60.31 Favored 'General case' 0 N--CA 1.47 0.547 0 O-C-N 121.294 -0.879 . . . . 0.0 111.056 177.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -69.32 -39.58 78.15 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 125.665 1.586 . . . . 0.0 112.361 175.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.416 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -53.9 -56.13 20.58 Favored 'General case' 0 C--N 1.34 0.173 0 CA-C-O 118.895 -0.574 . . . . 0.0 110.865 172.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -63.1 -49.93 72.51 Favored 'General case' 0 N--CA 1.477 0.884 0 N-CA-C 114.343 1.238 . . . . 0.0 114.343 176.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -61.96 -15.48 43.99 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 115.657 1.725 . . . . 0.0 115.657 178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -89.44 -63.19 1.32 Allowed 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 169.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.696 HG13 ' H ' ' A' ' 33' ' ' THR . 11.6 p -172.98 -126.8 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.329 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -171.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.696 ' H ' HG13 ' A' ' 32' ' ' VAL . 17.8 p -122.62 -30.17 3.93 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 127.051 2.141 . . . . 0.0 116.347 -169.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.403 ' CD1' ' HD2' ' A' ' 13' ' ' ARG . 85.8 t80 163.19 -80.37 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 129.62 3.168 . . . . 0.0 109.29 -179.027 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.86 -34.2 77.39 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 -169.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.593 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -63.68 -46.54 85.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 173.503 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.471 ' HB3' HG12 ' A' ' 32' ' ' VAL . 0.4 OUTLIER -71.09 -38.43 72.39 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 120.394 1.452 . . . . 0.0 109.124 -178.353 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.542 HD12 HD21 ' A' ' 17' ' ' LEU . 5.9 tt -51.73 -44.7 63.35 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.877 0.871 . . . . 0.0 111.041 172.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -65.72 -45.48 82.52 Favored 'General case' 0 N--CA 1.481 1.084 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 178.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 77.2 mt -66.33 -48.12 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.77 1.228 . . . . 0.0 111.032 -179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.46 -36.44 76.6 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 126.426 1.89 . . . . 0.0 112.283 178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 17.2 mttp -62.77 -34.71 77.81 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 120.259 1.391 . . . . 0.0 112.661 169.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.38 -49.67 76.92 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 170.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.0 mttt 62.11 179.98 0.13 Allowed 'General case' 0 CA--C 1.55 0.954 0 C-N-CA 124.369 1.068 . . . . 0.0 111.499 -176.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 56.42 21.48 5.57 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 175.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 67.27 -53.83 0.47 Allowed 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 128.825 2.85 . . . . 0.0 114.436 -169.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.139 0 C-N-CA 127.394 2.277 . . . . 0.0 110.297 -177.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 119.571 -0.252 . . . . 0.01 111.573 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.407 ' H ' HG21 ' A' ' 6' ' ' VAL 0.285 4.8 tt 59.28 97.85 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 127.627 2.371 . . . . 0.0 114.768 -177.776 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.799 HG22 ' H ' ' A' ' 4' ' ' ASP . 9.3 p -163.55 -161.75 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 C-N-CA 127.806 2.442 . . . . 0.0 110.251 -174.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.799 ' H ' HG22 ' A' ' 3' ' ' VAL . 14.2 t70 -50.58 -49.01 57.41 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.209 2.203 . . . . 0.0 114.853 176.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.81 -38.02 83.95 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.772 1.027 . . . . 0.0 113.772 175.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.407 HG21 ' H ' ' A' ' 2' ' ' LEU . 87.5 t -71.05 -43.31 76.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 123.432 0.693 . . . . 0.0 110.668 176.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 mttt -54.84 -54.39 43.01 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 118.209 -0.9 . . . . 0.0 110.328 171.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -54.86 -50.0 69.74 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.597 1.544 . . . . 0.0 113.88 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.8 mmt -62.35 -43.01 99.82 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 114.963 1.468 . . . . 0.0 114.963 177.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.21 -37.9 88.76 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.969 1.308 . . . . 0.0 111.266 174.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.421 ' CG2' HG22 ' A' ' 25' ' ' THR . 58.4 mt -70.05 -43.71 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.939 0 C-N-CA 125.793 1.637 . . . . 0.0 111.382 175.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.13 -38.34 82.78 Favored 'General case' 0 CA--C 1.542 0.643 0 O-C-N 119.57 -1.956 . . . . 0.0 112.833 175.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.16 -37.64 67.26 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.689 1.196 . . . . 0.0 112.247 169.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.6 ' HB3' HD12 ' A' ' 19' ' ' LEU . 15.7 mt -60.36 -42.91 96.74 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 113.716 1.006 . . . . 0.0 113.716 174.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 64.7 mtp -59.95 -37.18 78.8 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 121.829 -0.544 . . . . 0.0 112.388 176.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 m -60.4 -37.76 81.87 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 172.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -72.32 -29.13 63.55 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 114.706 1.372 . . . . 0.0 114.706 173.041 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 93.83 96.22 1.55 Allowed Glycine 0 CA--C 1.532 1.118 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -173.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.6 HD12 ' HB3' ' A' ' 14' ' ' LEU . 62.0 mt -144.45 175.57 10.02 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.973 1.709 . . . . 0.0 113.422 173.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.0 m -64.59 -154.54 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 126.983 2.113 . . . . 0.0 113.428 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.548 ' O ' HG23 ' A' ' 25' ' ' THR . 35.2 mt -112.75 -100.59 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 O-C-N 119.981 -1.699 . . . . 0.0 108.987 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.06 -31.12 70.78 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-N 120.333 1.424 . . . . 0.0 112.901 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -73.08 -46.55 50.92 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 118.057 -0.973 . . . . 0.0 109.511 176.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.1 -36.33 63.09 Favored 'General case' 0 C--O 1.223 -0.329 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 171.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 21' ' ' ILE . 5.0 p -68.25 -41.31 81.33 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 122.98 1.371 . . . . 0.0 110.576 -178.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.41 -35.27 73.33 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 118.048 -0.977 . . . . 0.0 111.048 173.58 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -72.37 -52.31 16.62 Favored 'General case' 0 C--O 1.214 -0.806 0 CA-C-N 120.812 1.642 . . . . 0.0 106.97 -175.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -38.63 -46.97 1.27 Allowed 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 117.3 2.333 . . . . 0.0 117.3 168.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.88 -22.13 46.42 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -178.445 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -86.04 -38.85 17.43 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 124.153 0.981 . . . . 0.0 112.873 175.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.85 -71.52 0.18 Allowed 'General case' 0 CA--C 1.514 -0.416 0 C-N-CA 127.293 2.237 . . . . 0.0 107.014 174.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.885 HG13 ' H ' ' A' ' 33' ' ' THR . 2.4 p -164.3 -77.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.327 0 N-CA-C 118.098 2.629 . . . . 0.0 118.098 171.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.885 ' H ' HG13 ' A' ' 32' ' ' VAL . 67.2 p -160.41 -51.44 0.05 Allowed 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 127.079 2.152 . . . . 0.0 110.294 -167.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CE1' HD12 ' A' ' 17' ' ' LEU . 78.5 t80 176.68 -70.35 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 127.918 2.487 . . . . 0.0 108.316 173.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -57.21 -39.44 75.43 Favored 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.818 1.414 . . . . 0.0 114.818 -172.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.796 ' HB3' HG11 ' A' ' 32' ' ' VAL . 2.2 ttt180 -68.13 -48.19 66.08 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 122.397 0.279 . . . . 0.0 111.198 177.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CZ ' HD13 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -67.36 -47.21 71.1 Favored 'General case' 0 C--O 1.213 -0.832 0 CA-C-O 117.625 -1.178 . . . . 0.0 109.518 179.719 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 17' ' ' LEU . 5.0 tt -42.19 -53.65 3.96 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.257 1.423 . . . . 0.0 110.891 172.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -58.23 -40.6 82.15 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.961 -178.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 65.8 mt -73.03 -49.21 40.5 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.168 0 C-N-CA 125.445 1.498 . . . . 0.0 111.928 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.71 -45.83 81.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 128.297 2.639 . . . . 0.0 112.563 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -57.06 -35.06 68.9 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 124.587 1.155 . . . . 0.0 112.974 168.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -60.38 -47.86 84.23 Favored 'General case' 0 CA--C 1.553 1.064 0 CA-C-N 114.39 -1.277 . . . . 0.0 111.171 169.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 mttm -71.67 -171.92 0.73 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 126.57 1.948 . . . . 0.0 114.169 169.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.9 126.42 30.39 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 120.734 -1.229 . . . . 0.0 112.092 169.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.8 pttt -104.39 -175.71 2.87 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 126.65 1.98 . . . . 0.0 111.666 172.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 . . . . . 0 N--CA 1.483 1.196 0 C-N-CA 125.22 1.408 . . . . 0.0 114.493 174.031 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 113.502 0.927 . . . . 0.01 113.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 25.3 mt 61.11 76.04 0.39 Allowed 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.966 1.706 . . . . 0.0 113.975 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.8 p -57.73 -6.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 N-CA-C 115.608 1.707 . . . . 0.0 115.608 175.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -105.47 -50.94 3.1 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.641 1.577 . . . . 0.0 112.334 177.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -67.69 -39.4 84.42 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.379 1.072 . . . . 0.0 113.19 177.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.6 p -62.52 -41.35 91.63 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 123.315 0.646 . . . . 0.0 111.16 171.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.7 tttm -61.9 -45.73 92.48 Favored 'General case' 0 C--O 1.222 -0.342 0 C-N-CA 123.187 0.595 . . . . 0.0 109.634 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -63.21 -40.69 98.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.619 0.645 . . . . 0.0 111.888 -178.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 12.1 ttt -64.79 -57.31 9.25 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 120.547 -1.346 . . . . 0.0 114.172 172.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -49.65 -28.61 6.1 Favored 'General case' 0 N--CA 1.492 1.669 0 N-CA-C 115.006 1.484 . . . . 0.0 115.006 171.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 53.2 mt -72.68 -45.18 58.47 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.86 0 C-N-CA 125.208 1.403 . . . . 0.0 112.108 171.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.71 -36.39 82.82 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 120.126 -1.608 . . . . 0.0 111.813 176.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HD2' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -54.33 -44.42 72.07 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.76 1.224 . . . . 0.0 111.943 169.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' HB3' HD12 ' A' ' 19' ' ' LEU . 15.2 mt -58.69 -35.88 73.32 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 115.018 1.488 . . . . 0.0 115.018 173.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -61.26 -35.56 77.61 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.191 -0.913 . . . . 0.0 113.198 173.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.71 -43.52 90.13 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 119.035 0.834 . . . . 0.0 112.123 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 38' ' ' LEU . 6.0 mp -77.01 -3.88 41.29 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.062 1.345 . . . . 0.0 113.895 179.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.49 85.66 0.15 Allowed Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.351 1.453 . . . . 0.0 112.02 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD12 ' HB3' ' A' ' 14' ' ' LEU . 77.1 mt -135.6 166.98 21.96 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 126.03 1.732 . . . . 0.0 109.237 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 m -64.47 -164.62 0.02 OUTLIER 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 125.926 1.691 . . . . 0.0 113.97 178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.651 HG23 ' H ' ' A' ' 22' ' ' GLU . 21.2 tt -87.08 -107.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 O-C-N 119.97 -1.706 . . . . 0.0 115.587 165.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.651 ' H ' HG23 ' A' ' 21' ' ' ILE . 5.0 pt-20 -47.13 -47.6 23.45 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 127.19 2.196 . . . . 0.0 112.796 -178.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.16 -43.95 98.08 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 113.235 -1.802 . . . . 0.0 110.829 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.17 -46.75 82.51 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.178 0.899 . . . . 0.0 112.081 168.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.4 p -62.68 -51.11 68.49 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.544 1.066 . . . . 0.0 112.371 -174.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -61.58 -40.81 96.09 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.633 -1.292 . . . . 0.0 111.487 175.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -60.38 -41.46 93.81 Favored 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.051 0.844 . . . . 0.0 112.576 175.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' CB ' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -60.61 -48.54 81.31 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.069 2.148 . . . . 0.0 112.944 176.847 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -75.02 -43.47 53.53 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.696 1.199 . . . . 0.0 110.833 -174.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -56.15 -59.61 4.69 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.794 0.838 . . . . 0.0 109.636 169.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -50.67 -38.85 49.0 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 115.475 -2.203 . . . . 0.0 115.509 179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.936 HG13 ' H ' ' A' ' 33' ' ' THR . 5.6 p 162.51 -95.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 N-CA-C 116.364 1.987 . . . . 0.0 116.364 -174.265 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.936 ' H ' HG13 ' A' ' 32' ' ' VAL . 89.9 m -158.97 -94.7 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 130.17 3.388 . . . . 0.0 105.881 -167.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' CE2' ' HD2' ' A' ' 13' ' ' ARG . 45.1 t80 -137.82 -64.1 0.55 Allowed 'General case' 0 N--CA 1.474 0.767 0 O-C-N 119.311 -2.118 . . . . 0.0 114.858 171.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -63.78 -43.16 97.18 Favored 'General case' 0 N--CA 1.487 1.4 0 CA-C-N 119.756 1.162 . . . . 0.0 111.81 -170.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.643 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -50.39 -48.67 55.88 Favored 'General case' 0 CA--C 1.549 0.936 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 171.163 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.566 ' OH ' HD22 ' A' ' 17' ' ' LEU . 0.2 OUTLIER -69.59 -39.02 77.53 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 118.767 0.712 . . . . 0.0 110.341 178.013 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.878 HD23 HD23 ' A' ' 17' ' ' LEU . 2.0 tm? -60.01 -50.51 73.44 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 118.703 -0.665 . . . . 0.0 111.07 -179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -57.01 -50.15 73.61 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.991 1.268 . . . . 0.0 112.454 175.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 75.0 mt -54.32 -48.89 67.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.269 0 O-C-N 123.783 0.677 . . . . 0.0 111.175 177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -72.44 -32.31 66.19 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 126.537 1.935 . . . . 0.0 114.187 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.613 ' HE3' HD21 ' A' ' 38' ' ' LEU . 60.4 mttt -62.17 -47.97 82.14 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 120.077 1.308 . . . . 0.0 110.244 170.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.58 -38.89 60.89 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.45 0.7 . . . . 0.0 112.421 173.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 tttt -76.94 -32.88 57.65 Favored 'General case' 0 CA--C 1.55 0.95 0 N-CA-C 114.537 1.31 . . . . 0.0 114.537 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -159.06 105.73 1.76 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.912 2.085 . . . . 0.0 111.191 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.7 tttt -74.72 110.8 9.31 Favored 'General case' 0 CA--C 1.552 1.021 0 O-C-N 121.473 -0.767 . . . . 0.0 110.811 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 N--CA 1.482 1.127 0 C-N-CA 126.531 1.932 . . . . 0.0 111.59 -179.805 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 114.223 1.194 . . . . 0.01 114.223 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.6 mt 50.64 26.58 2.53 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 120.171 -1.581 . . . . 0.0 114.637 -176.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.78 146.16 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.256 1.022 . . . . 0.0 112.678 -177.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -129.1 -47.38 1.22 Allowed 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.982 1.313 . . . . 0.0 112.859 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -65.23 -36.99 85.87 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 172.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 43.9 t -59.35 -47.5 90.33 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 122.992 0.517 . . . . 0.0 110.646 172.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -54.67 44.29 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 119.205 -0.426 . . . . 0.0 110.378 176.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.65 -31.36 66.23 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 114.94 1.459 . . . . 0.0 114.94 179.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.5 mtt -75.24 -46.91 30.8 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 175.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.1 85.07 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 121.434 -0.791 . . . . 0.0 112.093 173.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 25' ' ' THR . 61.8 mt -60.59 -46.76 95.11 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.934 0 C-N-CA 124.833 1.253 . . . . 0.0 111.069 174.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.57 -40.12 86.3 Favored 'General case' 0 CA--C 1.551 0.985 0 O-C-N 120.384 -1.447 . . . . 0.0 113.104 173.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.87 -37.12 51.01 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 121.238 -0.914 . . . . 0.0 112.439 170.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.537 ' HB3' HD12 ' A' ' 19' ' ' LEU . 9.8 mt -64.6 -42.77 95.34 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 174.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.8 tmm? -59.93 -23.24 63.37 Favored 'General case' 0 CA--C 1.548 0.889 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 172.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.32 -24.5 54.32 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 171.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.449 HD11 HD12 ' A' ' 38' ' ' LEU . 2.7 mt -85.1 -26.39 26.94 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.63 1.172 . . . . 0.0 113.772 171.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.7 72.02 0.94 Allowed Glycine 0 CA--C 1.535 1.337 0 C-N-CA 124.122 0.867 . . . . 0.0 112.691 179.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.537 HD12 ' HB3' ' A' ' 14' ' ' LEU . 48.3 mt -119.77 -162.56 0.93 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 125.524 1.53 . . . . 0.0 111.382 176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.435 ' H ' ' HB2' ' A' ' 24' ' ' ALA . 20.2 m -87.13 -110.99 0.06 Allowed 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 126.715 2.006 . . . . 0.0 113.978 -175.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.723 HG23 ' H ' ' A' ' 22' ' ' GLU . 13.1 tt -152.57 -100.0 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.558 1.268 0 C-N-CA 127.889 2.476 . . . . 0.0 113.199 177.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.723 ' H ' HG23 ' A' ' 21' ' ' ILE . 2.6 mt-10 -65.12 -48.56 73.2 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 119.697 -1.877 . . . . 0.0 111.718 173.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.07 -39.52 72.2 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.909 173.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.435 ' HB2' ' H ' ' A' ' 20' ' ' SER . . . -62.64 -40.51 97.24 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 171.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.458 HG23 HD11 ' A' ' 11' ' ' ILE . 95.7 m -59.85 -52.1 66.87 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 124.027 0.931 . . . . 0.0 111.842 178.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -62.56 -35.18 78.66 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 120.971 -1.081 . . . . 0.0 113.529 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -65.3 -46.7 79.33 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.031 0.532 . . . . 0.0 112.019 175.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -52.31 -47.83 65.75 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 127.497 2.319 . . . . 0.0 113.824 175.174 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -76.84 -39.76 50.11 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.907 0.883 . . . . 0.0 112.4 -178.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.68 -56.21 23.97 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 122.642 0.377 . . . . 0.0 110.432 173.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -52.74 -56.53 14.96 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 117.193 -1.384 . . . . 0.0 114.623 174.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.92 HG13 ' H ' ' A' ' 33' ' ' THR . 7.4 p 177.62 -107.05 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.561 1.379 0 C-N-CA 124.998 1.319 . . . . 0.0 112.953 -171.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.92 ' H ' HG13 ' A' ' 32' ' ' VAL . 24.5 m -143.9 -97.95 0.11 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 130.636 3.574 . . . . 0.0 105.121 -173.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -130.96 -66.12 0.76 Allowed 'General case' 0 N--CA 1.479 0.992 0 N-CA-C 116.205 1.928 . . . . 0.0 116.205 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -62.53 -36.78 83.68 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 120.503 1.502 . . . . 0.0 114.024 -171.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.482 ' HD3' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -59.08 -53.37 59.08 Favored 'General case' 0 CA--C 1.55 0.955 0 O-C-N 121.619 -0.675 . . . . 0.0 112.69 173.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -64.73 -36.13 83.31 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 119.447 1.021 . . . . 0.0 111.258 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.449 HD12 HD11 ' A' ' 17' ' ' LEU . 1.4 tt -53.84 -41.08 67.03 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.243 0.929 . . . . 0.0 111.995 171.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -72.37 -46.8 53.76 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.755 0.707 . . . . 0.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.84 -47.99 89.36 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.913 0 C-N-CA 124.153 0.981 . . . . 0.0 111.405 177.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.67 -27.93 61.5 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 125.517 1.527 . . . . 0.0 113.068 178.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 47.0 mttt -68.14 -35.71 78.51 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.087 1.767 . . . . 0.0 111.485 169.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -68.85 -25.28 64.56 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 114.001 1.111 . . . . 0.0 114.001 173.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -163.54 70.93 0.24 Allowed 'General case' 0 CA--C 1.553 1.094 0 CA-C-N 119.721 1.146 . . . . 0.0 113.235 -176.54 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 174.84 6.69 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 125.139 1.376 . . . . 0.0 113.913 178.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.3 tttm -143.61 -48.96 0.3 Allowed 'General case' 0 CA--C 1.548 0.899 0 C-N-CA 124.986 1.314 . . . . 0.0 112.477 174.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 N--CA 1.484 1.231 0 C-N-CA 126.917 2.087 . . . . 0.0 114.053 -176.265 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 118.665 -0.683 . . . . 0.01 110.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 51.87 85.56 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 116.419 2.007 . . . . 0.0 116.419 171.281 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.2 t 55.72 31.77 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 C-N-CA 125.644 1.578 . . . . 0.0 112.243 -171.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 47.71 92.62 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 127.148 2.179 . . . . 0.0 113.659 -169.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.25 -40.11 10.99 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 126.458 1.903 . . . . 0.0 114.084 175.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 51.5 t -58.14 -52.49 58.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 123.424 0.69 . . . . 0.0 111.372 170.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.0 ttmt -55.88 -49.18 74.09 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 123.702 0.801 . . . . 0.0 110.527 176.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.08 -42.91 95.62 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.151 1.381 . . . . 0.0 113.552 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.6 tpt -63.79 -48.04 78.51 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.985 0.914 . . . . 0.0 112.621 175.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.88 -38.1 84.47 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.966 0.906 . . . . 0.0 112.128 173.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 36.7 mt -62.94 -40.12 87.72 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 O-C-N 120.81 -1.181 . . . . 0.0 111.307 173.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.9 -34.14 72.79 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 120.973 -1.079 . . . . 0.0 111.98 174.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -59.12 -43.69 91.97 Favored 'General case' 0 CA--C 1.545 0.766 0 O-C-N 121.298 -0.876 . . . . 0.0 113.001 169.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.4 OUTLIER -60.49 -37.94 82.72 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 119.591 1.087 . . . . 0.0 112.897 176.863 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.4 -36.96 76.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 121.636 -0.665 . . . . 0.0 111.928 172.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -31.26 72.08 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 114.026 1.121 . . . . 0.0 114.026 176.258 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.744 HD21 HD12 ' A' ' 38' ' ' LEU . 6.6 mp -83.18 -0.61 50.11 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 115.326 1.602 . . . . 0.0 115.326 172.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.7 83.03 0.51 Allowed Glycine 0 CA--C 1.534 1.262 0 CA-C-N 121.012 1.733 . . . . 0.0 112.864 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 63.9 mt -143.13 174.28 10.83 Favored 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 125.396 1.478 . . . . 0.0 112.645 179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.1 m -64.76 -166.54 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 126.674 1.989 . . . . 0.0 113.183 175.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.495 ' O ' HG23 ' A' ' 25' ' ' THR . 6.2 mt -102.53 -80.07 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 O-C-N 119.72 -1.862 . . . . 0.0 111.596 175.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.28 -39.05 49.5 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.243 0.929 . . . . 0.0 111.843 -174.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -61.1 -44.03 97.98 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.273 169.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.08 -44.7 79.21 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 118.138 -0.934 . . . . 0.0 112.867 172.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 21' ' ' ILE . 2.3 p -60.42 -39.59 88.0 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 120.484 1.493 . . . . 0.0 114.432 178.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -73.33 -40.48 64.43 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 121.471 -0.768 . . . . 0.0 111.337 177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -60.91 -44.56 96.99 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.656 1.183 . . . . 0.0 112.308 177.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.438 ' HB2' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -50.5 -61.34 2.24 Favored 'General case' 0 N--CA 1.467 0.401 0 C-N-CA 124.488 1.115 . . . . 0.0 110.959 171.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.11 -24.22 67.61 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 115.878 1.807 . . . . 0.0 115.878 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -87.99 -20.77 25.4 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -84.35 -51.27 7.1 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.724 HG13 ' H ' ' A' ' 33' ' ' THR . 15.0 p 176.4 -121.69 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 C-N-CA 127.734 2.414 . . . . 0.0 116.699 -172.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.724 ' H ' HG13 ' A' ' 32' ' ' VAL . 32.0 m -129.06 -37.02 1.72 Allowed 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 128.339 2.656 . . . . 0.0 113.287 -168.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 86.6 t80 166.82 -83.24 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 127.719 2.408 . . . . 0.0 111.171 -173.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -65.87 -31.88 73.08 Favored 'General case' 0 N--CA 1.484 1.26 0 N-CA-C 114.1 1.148 . . . . 0.0 114.1 -169.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.712 ' HB3' HG11 ' A' ' 32' ' ' VAL . 0.1 OUTLIER -63.6 -51.0 67.18 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 119.318 -0.372 . . . . 0.0 111.702 174.179 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.441 ' CZ ' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -37.91 86.97 Favored 'General case' 0 C--N 1.346 0.451 0 CA-C-N 119.611 1.096 . . . . 0.0 110.128 179.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.744 HD12 HD21 ' A' ' 17' ' ' LEU . 7.7 tt -51.32 -52.38 45.84 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.375 0.67 . . . . 0.0 110.147 173.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.2 -42.5 91.06 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.4 mt -69.97 -46.16 74.28 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.016 0 C-N-CA 124.196 0.999 . . . . 0.0 111.936 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 45' ' ' GLN . 1.9 mm? -72.13 -38.65 69.21 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 127.031 2.132 . . . . 0.0 112.691 179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.5 mtpt -61.06 -37.06 81.3 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 120.886 -1.134 . . . . 0.0 111.545 169.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -58.5 7.83 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 170.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -157.2 121.58 4.35 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.624 1.57 . . . . 0.0 112.334 169.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.498 ' HA ' HD13 ' A' ' 41' ' ' LEU . 24.9 tt0 -78.26 -49.46 13.66 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.649 0.78 . . . . 0.0 112.67 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tttt 51.43 -157.16 0.12 Allowed 'General case' 0 CA--C 1.559 1.298 0 C-N-CA 125.194 1.397 . . . . 0.0 114.332 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 C--O 1.252 1.206 0 C-N-CA 126.398 1.879 . . . . 0.0 112.881 177.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.316 0 N-CA-C 110.092 -0.336 . . . . 0.01 110.092 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.38 -42.01 94.98 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 118.616 0.644 . . . . 0.0 112.426 173.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.3 p -162.68 150.42 3.77 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 126.308 1.843 . . . . 0.0 110.123 -176.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -115.75 -27.84 6.93 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.169 1.388 . . . . 0.0 113.441 172.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -63.32 -45.9 89.17 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.811 1.245 . . . . 0.0 113.734 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 t -56.46 -45.96 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.178 0 C-N-CA 123.911 0.884 . . . . 0.0 110.481 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -58.85 -53.33 59.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 118.824 -0.608 . . . . 0.0 110.458 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.7 -41.01 66.5 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 125.731 1.612 . . . . 0.0 114.307 175.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 6.5 ttt -69.48 -42.6 74.62 Favored 'General case' 0 CA--C 1.541 0.634 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.05 -30.43 67.69 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.128 0.971 . . . . 0.0 112.783 173.506 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.552 HD11 HG23 ' A' ' 25' ' ' THR . 50.9 mt -64.9 -39.94 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.879 0 C-N-CA 124.562 1.145 . . . . 0.0 111.274 172.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.29 -38.33 88.95 Favored 'General case' 0 CA--C 1.546 0.817 0 O-C-N 120.731 -1.231 . . . . 0.0 112.131 174.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.5 mtt-85 -55.5 -34.41 64.58 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 124.7 1.2 . . . . 0.0 113.446 170.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.7 mt -65.38 -43.66 89.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 124.653 1.181 . . . . 0.0 112.39 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 4.2 tpp -58.97 -25.35 63.51 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.653 0.781 . . . . 0.0 112.669 173.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.97 -10.98 59.99 Favored 'General case' 0 CA--C 1.553 1.074 0 N-CA-C 114.86 1.43 . . . . 0.0 114.86 174.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 38' ' ' LEU . 25.2 mt -111.08 -3.85 15.31 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.67 1.588 . . . . 0.0 113.486 176.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 86.55 77.64 1.23 Allowed Glycine 0 CA--C 1.538 1.495 0 C-N-CA 124.024 0.821 . . . . 0.0 113.294 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 73.1 mt -140.26 165.63 26.87 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 126.139 1.776 . . . . 0.0 113.955 -175.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -65.03 -161.04 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 126.025 1.73 . . . . 0.0 112.568 178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.4 mt -112.77 -76.59 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 O-C-N 120.431 -1.418 . . . . 0.0 111.429 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -81.76 -44.13 17.43 Favored 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 118.776 0.716 . . . . 0.0 110.95 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -58.91 -45.84 89.36 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.4 -45.38 69.31 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 117.984 -1.008 . . . . 0.0 112.821 170.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.552 HG23 HD11 ' A' ' 11' ' ' ILE . 97.9 m -55.26 -47.68 75.09 Favored 'General case' 0 N--CA 1.476 0.874 0 CA-C-N 119.872 1.215 . . . . 0.0 112.98 176.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.85 -51.31 59.9 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 121.796 -0.565 . . . . 0.0 110.55 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -51.58 -48.81 63.03 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 177.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -47.55 -58.45 4.21 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 124.931 1.292 . . . . 0.0 111.058 174.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -38.08 89.36 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.529 1.307 . . . . 0.0 114.529 178.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -11.32 59.8 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 115.71 1.744 . . . . 0.0 115.71 179.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -95.51 -42.08 8.63 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.52 1.128 . . . . 0.0 110.512 173.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.719 HG13 ' H ' ' A' ' 33' ' ' THR . 11.9 p 162.18 -125.94 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 127.89 3.244 . . . . 0.0 117.784 -172.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.719 ' H ' HG13 ' A' ' 32' ' ' VAL . 31.5 p -124.37 -40.01 2.28 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 128.353 2.661 . . . . 0.0 115.894 -169.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 44.1 t80 177.32 -69.73 0.01 OUTLIER 'General case' 0 CA--C 1.56 1.33 0 CA-C-N 123.68 2.946 . . . . 0.0 110.064 177.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.47 -37.8 74.31 Favored 'General case' 0 N--CA 1.49 1.552 0 C-N-CA 124.102 0.961 . . . . 0.0 112.67 -174.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.642 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -61.87 -44.51 96.67 Favored 'General case' 0 CA--C 1.547 0.854 0 CA-C-O 118.855 -0.593 . . . . 0.0 112.595 174.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -70.9 -38.95 73.03 Favored 'General case' 0 C--O 1.219 -0.506 0 CA-C-N 120.154 1.343 . . . . 0.0 110.263 179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD12 HD11 ' A' ' 17' ' ' LEU . 0.7 OUTLIER -49.7 -44.59 48.25 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 118.928 0.785 . . . . 0.0 111.014 175.55 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.79 -42.13 91.1 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.909 0.884 . . . . 0.0 112.488 178.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.9 mt -68.33 -48.15 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.97 0 C-N-CA 124.274 1.029 . . . . 0.0 112.235 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.11 -45.73 91.98 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 126.871 2.069 . . . . 0.0 112.541 176.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -36.89 74.47 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 123.167 0.587 . . . . 0.0 111.677 174.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.05 -19.14 60.71 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 169.512 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -83.19 -58.22 2.94 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 124.527 1.131 . . . . 0.0 111.477 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -171.41 -51.29 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.622 1.969 . . . . 0.0 112.365 169.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt 49.17 89.84 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.212 0 C-N-CA 127.084 2.154 . . . . 0.0 115.037 -172.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 . . . . . 0 N--CA 1.486 1.344 0 C-N-CA 125.27 1.428 . . . . 0.0 112.514 176.892 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.552 ' O ' HG21 ' A' ' 6' ' ' VAL . . . . . . . . 0 N--CA 1.489 1.492 0 CA-C-O 119.669 -0.205 . . . . 0.01 110.776 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.6 mt -133.3 32.62 3.66 Favored 'General case' 0 CA--C 1.558 1.269 0 C-N-CA 126.606 1.962 . . . . 0.0 112.183 -178.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.8 m -62.62 174.41 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 126.673 1.989 . . . . 0.0 113.428 175.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.75 -41.76 56.96 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 176.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -59.82 -39.19 84.22 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.195 0.998 . . . . 0.0 113.478 173.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.552 HG21 ' O ' ' A' ' 1' ' ' ALA . 44.5 t -63.74 -45.73 96.5 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 CA-C-O 118.237 -0.887 . . . . 0.0 110.964 173.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.79 -54.3 46.09 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 118.369 -0.824 . . . . 0.0 110.766 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.45 -43.52 71.73 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 120.195 1.362 . . . . 0.0 114.007 179.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.59 -52.16 64.48 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.487 0.715 . . . . 0.0 112.819 174.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -36.86 78.99 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 124.095 0.958 . . . . 0.0 112.41 177.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 25' ' ' THR . 54.7 mt -64.12 -44.91 97.71 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 C-N-CA 125.768 1.627 . . . . 0.0 111.327 173.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.14 -37.44 72.02 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 120.976 -1.077 . . . . 0.0 112.108 173.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.95 75.53 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.827 0.851 . . . . 0.0 112.779 171.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.532 ' HB3' HD12 ' A' ' 19' ' ' LEU . 16.2 mt -59.19 -43.97 92.21 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.176 -0.953 . . . . 0.0 112.417 173.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 25.5 ttt -60.1 -28.24 67.67 Favored 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 175.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.7 m -60.96 -52.3 65.59 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 119.841 1.201 . . . . 0.0 111.884 169.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.665 HD11 HD12 ' A' ' 38' ' ' LEU . 1.1 mt -58.29 -35.41 71.77 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 170.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 103.85 79.33 1.33 Allowed Glycine 0 CA--C 1.531 1.032 0 C-N-CA 124.76 1.171 . . . . 0.0 111.367 178.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 14' ' ' LEU . 44.8 mt -134.24 169.62 16.93 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-N 120.232 2.016 . . . . 0.0 110.087 177.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.2 m -55.67 -159.29 0.0 OUTLIER 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 126.086 1.754 . . . . 0.0 113.728 179.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 38.9 mt -108.8 -97.5 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 119.329 -2.107 . . . . 0.0 109.364 -176.012 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.11 -28.6 67.47 Favored 'General case' 0 N--CA 1.491 1.606 0 C-N-CA 125.665 1.586 . . . . 0.0 112.911 175.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.48 -49.2 43.57 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.966 -1.47 . . . . 0.0 112.175 171.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.33 -45.95 76.36 Favored 'General case' 0 C--O 1.217 -0.609 0 CA-C-N 120.962 1.71 . . . . 0.0 113.374 168.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.545 HG23 HD11 ' A' ' 11' ' ' ILE . 90.1 m -48.18 -50.35 29.35 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 120.359 1.436 . . . . 0.0 113.492 177.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -73.86 -26.04 60.37 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -69.21 -61.4 1.81 Allowed 'General case' 0 C--O 1.217 -0.622 0 CA-C-O 117.393 -1.289 . . . . 0.0 109.495 173.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -33.83 -63.01 0.28 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.423 2.289 . . . . 0.0 113.92 169.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -34.23 77.25 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -174.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -71.96 -43.54 65.02 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.598 1.19 . . . . 0.0 113.595 169.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . 0.288 0.6 OUTLIER -53.91 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 111.819 -2.446 . . . . 0.0 109.132 175.276 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.84 HG22 ' H ' ' A' ' 33' ' ' THR . 6.7 p 173.9 -132.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 C-N-CA 127.873 2.469 . . . . 0.0 108.355 175.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.84 ' H ' HG22 ' A' ' 32' ' ' VAL . 41.0 p -92.32 -57.75 2.6 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 128.523 2.729 . . . . 0.0 117.115 171.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' CE1' HD12 ' A' ' 17' ' ' LEU . 25.3 t80 179.96 -48.6 0.01 OUTLIER 'General case' 0 CA--C 1.566 1.589 2 CA-C-N 127.178 4.535 . . . . 0.0 108.961 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -75.32 -35.94 61.15 Favored 'General case' 0 N--CA 1.49 1.546 0 C-N-CA 126.336 1.854 . . . . 0.0 114.482 177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.636 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -68.94 -49.13 60.72 Favored 'General case' 0 CA--C 1.546 0.826 0 O-C-N 121.675 -0.641 . . . . 0.0 110.998 174.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.23 -43.37 86.83 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 120.578 -1.326 . . . . 0.0 110.154 178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.665 HD12 HD11 ' A' ' 17' ' ' LEU . 3.5 tt -44.86 -43.12 8.55 Favored 'General case' 0 C--O 1.217 -0.639 0 O-C-N 124.034 0.833 . . . . 0.0 109.87 172.492 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -69.63 -38.96 77.39 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.3 mt -73.35 -50.08 33.22 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 CA-C-N 119.754 1.161 . . . . 0.0 111.772 178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -64.07 -45.99 86.28 Favored 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 127.721 2.408 . . . . 0.0 111.752 176.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.5 ttmt -56.51 -35.01 67.55 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 122.205 -0.309 . . . . 0.0 111.729 173.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.6 m -73.39 -41.2 63.64 Favored 'General case' 0 CA--C 1.553 1.078 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 169.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.53 99.56 2.54 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 126.046 1.738 . . . . 0.0 113.192 177.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -116.94 126.85 53.57 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 125.055 1.342 . . . . 0.0 111.263 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -152.84 -53.99 0.11 Allowed 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.091 0.956 . . . . 0.0 113.309 -174.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.155 0 C-N-CA 125.746 1.619 . . . . 0.0 111.878 173.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 110.796 -0.075 . . . . 0.01 110.796 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -156.08 -32.19 0.09 Allowed 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 125.365 1.466 . . . . 0.0 113.323 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.51 80.67 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 C-N-CA 126.44 1.896 . . . . 0.0 112.105 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -162.14 -45.58 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 127.077 2.151 . . . . 0.0 111.529 178.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -61.93 -43.04 99.66 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.041 0.937 . . . . 0.0 113.179 -178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 42.5 t -57.33 -48.61 82.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.972 0.909 . . . . 0.0 110.945 173.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -55.43 -47.76 75.49 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 119.109 -0.472 . . . . 0.0 110.204 176.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -37.64 84.38 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.121 0.969 . . . . 0.0 113.091 -177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.96 -54.48 13.11 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.325 1.05 . . . . 0.0 113.088 177.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.414 ' O ' HD23 ' A' ' 14' ' ' LEU . 0.4 OUTLIER -53.02 -45.21 67.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 120.841 -1.162 . . . . 0.0 112.448 170.673 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.7 mt -54.5 -41.24 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.113 0 CA-C-N 114.545 -1.207 . . . . 0.0 110.942 174.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.55 -34.97 78.97 Favored 'General case' 0 CA--C 1.549 0.907 0 O-C-N 120.542 -1.349 . . . . 0.0 113.033 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -60.69 -37.11 80.55 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.852 -1.155 . . . . 0.0 113.867 171.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.444 HD13 ' CZ ' ' A' ' 37' ' ' TYR . 0.8 OUTLIER -68.44 -30.74 69.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.213 1.005 . . . . 0.0 112.668 173.605 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' MET . . . . . . . . . . . . . 5.0 ttt -66.4 -40.3 89.54 Favored 'General case' 0 CA--C 1.547 0.865 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.397 171.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -45.93 82.97 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 177.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.501 HD12 ' OH ' ' A' ' 37' ' ' TYR . 23.3 mt -69.22 -32.16 71.22 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 120.807 -1.183 . . . . 0.0 113.363 170.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.75 86.33 1.89 Allowed Glycine 0 N--CA 1.47 0.94 0 C-N-CA 125.86 1.695 . . . . 0.0 113.346 170.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.3 mt -122.6 -160.12 0.87 Allowed 'General case' 0 CA--C 1.557 1.217 0 C-N-CA 126.344 1.858 . . . . 0.0 110.633 -176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.6 m -72.85 -131.33 0.01 OUTLIER 'General case' 0 CA--C 1.563 1.451 0 C-N-CA 125.56 1.544 . . . . 0.0 113.961 176.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 2.4 mp -138.47 -107.73 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.047 0 C-N-CA 128.153 2.581 . . . . 0.0 107.27 176.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -19.48 40.51 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 122.18 2.264 . . . . 0.0 116.458 177.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -86.93 -36.29 18.43 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 112.688 -2.051 . . . . 0.0 113.714 169.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.71 -45.8 92.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 118.145 -0.931 . . . . 0.0 110.137 168.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.4 p -60.57 -55.82 28.8 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.76 1.618 . . . . 0.0 112.758 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.41 -27.71 67.68 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 113.662 0.986 . . . . 0.0 113.662 176.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -74.38 -35.08 63.5 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 173.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -52.26 61.01 Favored 'General case' 0 CA--C 1.532 0.27 0 C-N-CA 125.166 1.387 . . . . 0.0 112.392 177.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -65.0 -52.78 54.22 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.875 0.87 . . . . 0.0 111.235 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -54.54 -46.35 73.59 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 123.587 0.554 . . . . 0.0 110.559 179.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -61.81 -41.76 98.17 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 115.597 -2.144 . . . . 0.0 114.672 174.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.922 HG13 ' H ' ' A' ' 33' ' ' THR . 4.3 p 169.24 -93.99 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 CA-C-N 122.437 2.38 . . . . 0.0 113.639 -173.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.922 ' H ' HG13 ' A' ' 32' ' ' VAL . 73.3 m -162.93 -78.67 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 129.464 3.106 . . . . 0.0 108.363 -168.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 49.9 t80 -147.39 -67.87 0.25 Allowed 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 116.273 1.953 . . . . 0.0 116.273 169.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -65.27 -39.67 92.89 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-N 120.652 1.569 . . . . 0.0 113.628 -170.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.6 ' CB ' HG11 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -50.07 -54.22 21.87 Favored 'General case' 0 CA--C 1.556 1.197 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 169.514 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.501 ' OH ' HD12 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -62.61 -38.3 89.67 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.753 -179.188 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.46 ' C ' HD23 ' A' ' 38' ' ' LEU . 2.2 tt -59.37 -47.0 87.08 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 123.725 0.81 . . . . 0.0 111.023 176.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -59.51 -55.19 37.74 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.616 1.166 . . . . 0.0 112.277 173.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.9 mt -55.07 -46.28 77.3 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.114 0 C-N-CA 123.681 0.792 . . . . 0.0 112.223 179.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.14 -42.8 93.46 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.886 1.274 . . . . 0.0 112.921 176.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -57.79 -44.47 86.31 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.084 0.553 . . . . 0.0 110.736 176.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.43 -35.65 65.64 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 169.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -115.25 55.37 0.77 Allowed 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.038 1.335 . . . . 0.0 113.973 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -79.89 150.66 30.52 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.992 1.317 . . . . 0.0 113.678 176.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.98 108.3 3.43 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.225 1.41 . . . . 0.0 110.438 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 . . . . . 0 N--CA 1.483 1.203 0 C-N-CA 126.655 1.982 . . . . 0.0 112.865 -175.305 . . . . . . . . 0 0 . 1 stop_ save_