data_2ksj_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 2ksj _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 ' 4' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 5' ' ' THR . 32.2 t70 . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.445 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 24.5 m -51.65 -27.65 12.13 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -49.29 -54.59 16.16 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.4 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.63 -44.78 66.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.27 -54.14 38.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.558 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.74 -52.59 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.57 ' HG ' ' N ' ' A' ' 11' ' ' ALA . 82.9 p -58.88 -54.47 46.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.57 ' N ' ' HG ' ' A' ' 10' ' ' SER . . . -51.06 -47.72 61.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.189 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mt -57.4 -53.39 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 10' ' ' SER . 35.3 p -55.26 -41.6 72.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 CA--C 1.531 0.246 0 O-C-N 123.522 0.514 . . . . 0.0 110.916 -179.32 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 tptp . . . . . 0 CA--C 1.533 0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.8 -40.63 14.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -42.14 -24.6 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.33 -54.61 25.74 Favored Glycine 0 C--O 1.22 -0.763 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.579 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.85 -44.14 12.83 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.227 -1.463 . . . . 0.0 109.635 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -55.13 -43.81 74.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.4 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -51.57 -36.97 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -73.01 -44.59 56.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.992 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.74 -55.7 16.64 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 119.667 -1.254 . . . . 0.0 110.017 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.32 -31.54 61.75 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.729 0.764 . . . . 0.0 110.551 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.32 -54.78 31.72 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.961 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.8 -39.37 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.958 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.27 -52.47 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.96 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -55.8 -41.02 73.53 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.7 -53.73 17.18 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.382 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 t -47.93 -48.19 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.275 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.75 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.933 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.82 21.94 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.2 mm? -61.81 -34.04 75.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.42 0.61 . . . . 0.0 110.174 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.1 mt -64.36 -53.37 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.167 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -52.18 -38.67 58.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -26.85 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.841 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.3 ttp -79.98 -36.46 36.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.01 -32.25 71.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.112 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 0.0 111.473 177.766 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 5' ' ' THR . 16.7 t70 . . . . . 0 C--O 1.23 0.066 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.512 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.0 m -51.03 -28.16 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -49.84 -54.82 17.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.374 -0.931 . . . . 0.0 108.924 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.56 69.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.517 . . . . 0.0 110.045 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 -54.14 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.069 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -55.67 -51.65 66.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.437 ' O ' ' OG1' ' A' ' 13' ' ' THR . 92.2 p -57.2 -53.85 53.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.07 60.41 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.79 -52.03 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.585 ' HG1' ' N ' ' A' ' 14' ' ' ASP . 72.6 p -55.24 -46.16 76.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.459 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.585 ' N ' ' HG1' ' A' ' 13' ' ' THR . 25.7 t70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.97 -43.91 12.01 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -24.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -64.31 -54.99 26.13 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.56 -43.43 10.93 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -57.65 -44.02 85.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.23 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.35 -37.5 18.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.77 -44.46 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.125 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.38 -55.04 17.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.66 -31.13 57.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.448 0.624 . . . . 0.0 110.747 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.79 -54.4 39.6 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.92 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -52.94 -39.73 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.086 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.65 -52.56 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.859 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.35 -41.04 71.97 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.46 19.58 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.289 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -48.39 -49.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.748 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.07 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.061 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.14 20.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.32 -34.01 75.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.289 0.545 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.4 mt -64.23 -53.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.432 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.74 -38.68 61.24 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.101 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -27.38 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 111.074 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 ptm -82.2 -34.25 29.05 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.26 -30.84 70.71 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.722 0.773 . . . . 0.0 110.413 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.834 0 C-N-CA 125.491 1.516 . . . . 0.0 112.8 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 5' ' ' THR . 18.4 t70 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.436 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -51.65 -28.53 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.057 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -54.89 16.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.068 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.4 ' O ' ' OG ' ' A' ' 10' ' ' SER . . . -56.55 -49.77 73.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.361 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.3 -55.42 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.24 -46.52 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.79 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 5.9 p -56.04 -53.65 54.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -50.5 -49.06 56.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.584 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.65 -51.99 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.256 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 10' ' ' SER . 73.4 p -55.37 -50.32 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.069 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.74 -179.639 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.481 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.96 -43.36 12.43 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -25.58 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 176.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -63.59 -54.89 28.52 Favored Glycine 0 C--O 1.217 -0.961 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -44.21 -44.0 7.52 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.003 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -54.9 -42.51 72.25 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.287 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.9 mm -51.21 -38.35 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -40.42 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.072 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.48 -54.9 18.78 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.306 -1.425 . . . . 0.0 109.591 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.33 63.26 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 117.396 0.598 . . . . 0.0 110.456 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.76 -55.12 29.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.998 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -53.26 -40.07 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.077 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.46 -52.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.737 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -54.3 -40.92 68.37 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.69 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.31 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -48.32 -49.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.14 96.34 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.084 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.13 -44.21 19.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.92 -34.17 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.355 0.577 . . . . 0.0 110.391 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.62 -53.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.68 -39.17 61.67 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -51.55 -26.33 8.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.075 0.464 . . . . 0.0 110.793 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.2 mtm -80.74 -35.78 32.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 43' ' ' LEU . 7.4 mp -63.3 -29.75 71.02 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.673 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 124.936 1.294 . . . . 0.0 112.206 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 6.1 t70 . . . . . 0 CA--C 1.528 0.135 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.3 m -53.04 -27.55 20.3 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -49.24 -54.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.247 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.03 78.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.9 t -56.96 -55.27 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.905 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -61.41 -52.33 65.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.029 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.677 ' HG ' ' H ' ' A' ' 11' ' ' ALA . 20.4 p -56.58 -55.11 38.06 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.677 ' H ' ' HG ' ' A' ' 10' ' ' SER . . . -54.87 -49.29 71.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.035 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mt -52.25 -54.62 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -68.29 -43.6 77.34 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.776 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -85.39 -38.81 18.28 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -41.88 -26.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.077 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -66.38 -56.18 14.82 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.61 -45.83 12.57 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.489 -1.338 . . . . 0.0 110.214 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.82 -42.22 93.04 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.159 176.379 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.74 -35.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -72.95 -44.23 57.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.006 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.14 -54.55 18.78 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.17 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.464 0.632 . . . . 0.0 110.92 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.63 -54.62 33.03 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.16 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.1 t -52.06 -39.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.665 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.68 -52.31 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.806 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.59 -41.82 73.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -53.0 28.97 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.17 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.54 -48.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.308 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.25 90.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.73 -45.08 18.12 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' O ' ' CE ' ' A' ' 42' ' ' MET . 7.9 mp -59.5 -34.5 72.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.873 -0.78 . . . . 0.0 110.471 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.0 mt -64.74 -53.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.847 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -51.82 -39.34 58.62 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.188 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 m -52.91 -27.96 21.12 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.7 -33.44 27.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.29 -39.36 90.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.551 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 114.674 -1.148 . . . . 0.0 108.709 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 5' ' ' THR . 19.3 t70 . . . . . 0 C--O 1.231 0.104 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.496 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 3.0 m -52.16 -27.61 15.07 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -49.45 -54.7 16.26 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.35 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.91 -45.83 74.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.188 0.518 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -58.78 -54.93 26.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.75 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.12 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.003 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 13' ' ' THR . 93.5 p -58.29 -54.36 47.84 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.11 -46.56 61.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.742 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mt -56.89 -53.77 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 10' ' ' SER . 40.0 p -56.4 -41.13 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 N--CA 1.464 0.272 0 O-C-N 123.486 0.491 . . . . 0.0 111.155 -179.048 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.22 -41.41 13.74 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 pp -42.04 -24.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.6 -55.23 21.41 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.289 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -43.96 -45.12 7.53 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.601 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -56.08 -40.63 73.91 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.18 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.4 mm -51.47 -37.4 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -40.65 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 C-N-CA 119.085 -1.046 . . . . 0.0 109.96 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.37 -54.57 19.63 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 119.194 -1.479 . . . . 0.0 109.537 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.5 67.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.463 0.631 . . . . 0.0 110.636 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.75 -56.05 16.04 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.673 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -37.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.365 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.5 mt -65.93 -51.69 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.36 -41.33 75.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.22 -54.07 14.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.606 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -47.71 -47.17 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.102 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.64 94.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.968 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.37 -44.69 21.51 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.3 mm? -61.81 -34.77 76.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.424 0.612 . . . . 0.0 110.375 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mt -63.79 -53.18 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.237 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -38.48 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.612 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -26.34 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.009 0.433 . . . . 0.0 110.461 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 ttp -79.42 -37.25 37.56 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.13 -36.18 83.19 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.723 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.929 0.871 . . . . 0.0 112.043 177.696 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.5 p-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.565 0.221 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -52.67 -28.77 23.06 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -49.62 -54.32 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.373 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.18 73.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.297 0.57 . . . . 0.0 110.139 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.55 -54.24 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.729 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -60.27 -52.83 63.61 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.04 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' ' OG1' ' A' ' 13' ' ' THR . 95.2 p -57.23 -54.43 46.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.4 63.62 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.976 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.37 -54.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 14' ' ' ASP . 73.0 p -54.65 -39.02 67.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.414 ' N ' ' HG1' ' A' ' 13' ' ' THR . 16.2 t0 . . . . . 0 N--CA 1.466 0.331 0 O-C-N 123.676 0.61 . . . . 0.0 111.227 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.73 -43.78 12.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -25.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.22 -54.91 26.88 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.17 -46.33 6.47 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 120.208 -0.996 . . . . 0.0 110.976 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -57.55 -39.32 76.41 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 118.596 -1.241 . . . . 0.0 110.372 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -52.96 -41.06 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.07 -41.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 118.87 -1.132 . . . . 0.0 110.917 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.21 -53.18 20.39 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.23 19.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.862 0.331 . . . . 0.0 110.513 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.73 -54.21 39.01 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.093 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -38.59 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.601 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.05 -52.01 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.57 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.3 mt -56.19 -42.24 76.83 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.99 -53.5 20.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.316 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -48.36 -48.95 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.383 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.58 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.568 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.21 -45.09 20.93 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.34 -33.83 72.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.735 -0.862 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.8 mt -64.96 -53.54 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.016 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -39.28 67.19 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.479 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.09 -27.45 14.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.177 0.513 . . . . 0.0 111.249 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mtt -82.44 -34.28 28.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.06 -34.62 76.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.485 0.659 . . . . 0.0 109.909 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? . . . . . 0 N--CA 1.47 0.544 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.787 176.401 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' A' ' 5' ' ' THR . 18.2 t70 . . . . . 0 C--O 1.231 0.086 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.514 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -52.74 -26.94 15.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -54.76 15.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.728 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.66 70.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.237 0.542 . . . . 0.0 109.873 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -59.9 -54.01 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.152 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -56.7 -51.17 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.794 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.421 ' O ' ' OG1' ' A' ' 13' ' ' THR . 96.5 p -60.9 -54.55 43.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.15 -46.82 62.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.146 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.25 -52.78 47.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 10' ' ' SER . 46.4 p -54.52 -42.19 70.57 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.39 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.4 t0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 110.253 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.48 -38.89 16.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.32 -24.09 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.3 -54.52 29.21 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.762 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -42.86 -46.58 6.08 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.507 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.45 -40.72 75.3 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.633 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mp -54.86 -39.95 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.999 -0.438 . . . . 0.0 109.914 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.29 -41.2 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 118.443 -1.303 . . . . 0.0 110.806 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.88 -54.04 19.76 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 119.419 -1.372 . . . . 0.0 109.729 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.45 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.999 0.399 . . . . 0.0 110.811 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.31 -54.12 41.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.199 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -38.68 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.798 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.55 -52.26 53.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.838 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.08 -42.33 80.5 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 -53.8 16.66 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.213 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -48.17 -47.84 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.002 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.36 85.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.905 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.66 -44.63 17.24 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.3 mm? -59.8 -33.96 72.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.306 -0.526 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.4 mt -65.58 -54.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.289 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.36 -37.57 56.52 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.94 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -27.55 18.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 111.362 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.94 -35.34 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.36 -36.42 81.35 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 122.403 1.096 . . . . 0.0 108.435 175.558 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 6.3 m -51.33 -26.77 8.11 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.418 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 10.8 t -48.6 -53.92 16.55 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.296 -0.961 . . . . 0.0 108.729 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.2 75.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.423 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.86 -55.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.698 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.76 -51.8 68.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.03 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.553 ' HG ' ' N ' ' A' ' 11' ' ' ALA . 98.3 p -58.49 -54.53 46.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.553 ' N ' ' HG ' ' A' ' 10' ' ' SER . . . -51.8 -48.71 63.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.059 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -54.71 -54.05 26.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 10' ' ' SER . 77.6 p -56.85 -40.86 76.87 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 N--CA 1.464 0.269 0 O-C-N 123.47 0.482 . . . . 0.0 111.038 -179.213 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.18 -43.91 11.87 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -25.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.58 -54.56 28.2 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.488 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -43.15 -45.76 6.33 Favored Glycine 0 CA--C 1.535 1.293 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.77 -41.36 86.43 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.399 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.42 -40.48 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 118.783 0.719 . . . . 0.0 109.788 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -75.3 -41.15 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.479 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.42 -53.5 19.98 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.8 -30.57 33.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.511 -0.405 . . . . 0.0 110.634 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.03 -54.36 35.43 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.028 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -52.74 -39.67 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.603 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.25 -52.46 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.882 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.56 -40.85 79.85 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.15 12.54 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.364 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 t -47.58 -46.76 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.851 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.32 93.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.783 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.8 -45.03 24.81 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.2 mm? -61.95 -34.76 76.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 117.475 0.637 . . . . 0.0 110.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mt -63.09 -52.77 54.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.949 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.89 -39.1 58.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.865 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -26.45 8.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.85 -36.51 36.65 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -65.74 -34.84 79.1 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.411 178.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 . . . . . 0 N--CA 1.483 1.191 0 C-N-CA 124.652 1.181 . . . . 0.0 112.201 177.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.8 t70 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.7 m -50.01 -27.39 5.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -50.31 -55.1 16.93 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.393 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.77 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.329 0.585 . . . . 0.0 110.012 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.12 -52.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.334 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -52.81 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.841 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 13' ' ' THR . 85.6 p -57.82 -54.06 51.18 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.11 51.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.233 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.96 -50.73 79.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 10' ' ' SER . 29.8 p -53.34 -45.43 69.09 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 179.706 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.58 -41.4 14.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -41.0 -22.15 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.035 177.599 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -63.35 -54.4 32.52 Favored Glycine 0 C--O 1.219 -0.805 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.516 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.22 -47.25 6.68 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 119.873 -1.156 . . . . 0.0 110.677 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -57.07 -39.99 76.01 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.236 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.25 -39.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-N 118.628 0.649 . . . . 0.0 109.51 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -40.76 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.843 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.67 -54.92 15.39 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.93 19.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 117.05 0.425 . . . . 0.0 110.839 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.21 -54.33 39.24 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.065 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -38.49 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.685 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.01 -52.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.869 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.26 -41.82 76.4 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.21 -54.25 13.59 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.224 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -47.53 -48.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.278 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.95 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.08 -45.02 20.05 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.3 mm? -61.7 -33.86 74.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.512 0.656 . . . . 0.0 110.36 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -63.68 -52.93 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.333 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 1.0 OUTLIER -50.34 -36.08 30.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -179.412 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.417 ' H ' ' HG ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -56.52 -27.07 56.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 179.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ttp -82.74 -38.21 23.57 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.23 -32.79 63.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.142 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 122.114 0.959 . . . . 0.0 108.794 176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 5' ' ' THR . 26.8 t70 . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.526 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -51.84 -27.93 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -49.88 -55.17 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.579 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.73 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.384 0.611 . . . . 0.0 110.036 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.98 -53.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.097 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -57.89 -52.11 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.608 ' HG ' ' N ' ' A' ' 11' ' ' ALA . 53.0 p -58.8 -54.64 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.608 ' N ' ' HG ' ' A' ' 10' ' ' SER . . . -50.5 -46.97 57.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.335 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.5 -52.29 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.546 ' HG1' ' N ' ' A' ' 14' ' ' ASP . 66.0 p -55.66 -45.47 77.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.546 ' N ' ' HG1' ' A' ' 13' ' ' THR . 77.8 m-20 . . . . . 0 C--N 1.331 -0.202 0 O-C-N 123.546 0.529 . . . . 0.0 110.535 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.354 0 CA-C-O 121.008 0.432 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.63 -40.46 15.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.03 -24.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 114.1 -1.409 . . . . 0.0 107.543 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -54.83 -54.27 34.39 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -42.82 -51.26 5.85 Favored Glycine 0 CA--C 1.548 2.115 0 CA-C-N 115.384 -0.408 . . . . 0.0 112.805 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.01 -45.28 83.15 Favored 'General case' 0 CA--C 1.57 1.724 0 O-C-N 121.229 -1.159 . . . . 0.0 112.515 178.067 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tp -73.69 -35.5 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' LEU . 31.0 m -72.81 -48.06 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.93 -49.95 34.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.22 -28.99 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.7 tp -65.92 -53.46 39.03 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.088 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.96 -37.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.665 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -67.61 -51.72 48.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.921 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.17 -40.26 73.64 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.503 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -53.67 14.8 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.428 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -47.82 -46.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.763 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.65 97.36 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.018 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.85 -44.84 24.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.2 mm? -61.82 -34.28 75.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.311 0.556 . . . . 0.0 110.375 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mt -63.4 -52.59 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.126 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.509 ' CD1' ' O ' ' A' ' 40' ' ' TYR . 1.7 t80 -52.34 -38.46 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.421 ' HG ' ' C ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -51.91 -27.51 13.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -81.12 -36.19 30.64 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -29.61 65.63 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.408 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 . . . . . 0 N--CA 1.475 0.787 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.478 177.515 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.1 t -104.3 109.8 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.664 0.268 . . . . 0.0 110.519 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -130.01 133.49 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.943 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 5' ' ' THR . 32.2 t70 -167.07 178.9 5.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.828 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.445 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 24.5 m -51.65 -27.65 12.13 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -49.29 -54.59 16.16 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.4 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.63 -44.78 66.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.27 -54.14 38.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.558 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.74 -52.59 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.57 ' HG ' ' N ' ' A' ' 11' ' ' ALA . 82.9 p -58.88 -54.47 46.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.57 ' N ' ' HG ' ' A' ' 10' ' ' SER . . . -51.06 -47.72 61.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.189 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mt -57.4 -53.39 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 10' ' ' SER . 35.3 p -55.26 -41.6 72.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -68.79 50.28 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 123.522 0.514 . . . . 0.0 110.916 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.9 48.81 0.1 OUTLIER Glycine 0 CA--C 1.523 0.59 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 4.9 pt20 -65.91 105.41 1.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 24.87 58.83 0.06 OUTLIER Glycine 0 N--CA 1.472 1.063 0 O-C-N 124.667 1.229 . . . . 0.0 112.076 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' A' ' 19' ' ' MET . 40.7 t0 -93.9 -174.39 3.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.853 0.359 . . . . 0.0 111.008 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.579 ' SD ' ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -81.17 9.17 7.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.562 -179.461 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -71.03 -24.58 62.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.184 0.516 . . . . 0.0 111.018 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.8 -40.63 14.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -42.14 -24.6 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.33 -54.61 25.74 Favored Glycine 0 C--O 1.22 -0.763 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.579 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.85 -44.14 12.83 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.227 -1.463 . . . . 0.0 109.635 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -55.13 -43.81 74.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.4 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -51.57 -36.97 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -73.01 -44.59 56.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.992 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.74 -55.7 16.64 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 119.667 -1.254 . . . . 0.0 110.017 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.32 -31.54 61.75 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.729 0.764 . . . . 0.0 110.551 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.32 -54.78 31.72 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.961 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.8 -39.37 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.958 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.27 -52.47 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.96 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -55.8 -41.02 73.53 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.7 -53.73 17.18 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.382 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 t -47.93 -48.19 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.275 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.75 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.933 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.82 21.94 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.2 mm? -61.81 -34.04 75.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.42 0.61 . . . . 0.0 110.174 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.1 mt -64.36 -53.37 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.167 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -52.18 -38.67 58.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -26.85 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.841 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.3 ttp -79.98 -36.46 36.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.01 -32.25 71.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.112 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -75.7 -19.6 58.99 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 0.0 111.473 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -59.02 111.15 1.21 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.412 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.444 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.24 125.77 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.552 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -139.67 52.81 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 5' ' ' THR . 16.7 t70 -80.14 177.39 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.512 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.0 m -51.03 -28.16 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -49.84 -54.82 17.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.374 -0.931 . . . . 0.0 108.924 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.56 69.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.517 . . . . 0.0 110.045 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 -54.14 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.069 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -55.67 -51.65 66.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.563 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.437 ' O ' ' OG1' ' A' ' 13' ' ' THR . 92.2 p -57.2 -53.85 53.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.07 60.41 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.79 -52.03 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.585 ' HG1' ' N ' ' A' ' 14' ' ' ASP . 72.6 p -55.24 -46.16 76.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.459 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.585 ' N ' ' HG1' ' A' ' 13' ' ' THR . 25.7 t70 -69.89 45.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.457 ' H ' ' C ' ' A' ' 13' ' ' THR . . . -173.41 46.66 0.16 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 2.3 pt20 -59.06 91.59 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 32.08 66.47 0.19 Allowed Glycine 0 CA--C 1.527 0.83 0 O-C-N 124.521 1.138 . . . . 0.0 110.533 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.523 ' CG ' ' H ' ' A' ' 19' ' ' MET . 20.8 t70 -95.56 -173.65 2.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 111.268 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.523 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -75.63 11.79 1.22 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.488 -178.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.07 -27.6 60.98 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.97 -43.91 12.01 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -24.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -64.31 -54.99 26.13 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.56 -43.43 10.93 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -57.65 -44.02 85.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.23 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.35 -37.5 18.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.77 -44.46 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.125 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.38 -55.04 17.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.66 -31.13 57.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.448 0.624 . . . . 0.0 110.747 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.79 -54.4 39.6 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.92 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -52.94 -39.73 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.086 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.65 -52.56 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.859 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.35 -41.04 71.97 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.46 19.58 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.289 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -48.39 -49.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.748 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.79 -42.07 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.061 179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.14 20.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.32 -34.01 75.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.289 0.545 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 41.4 mt -64.23 -53.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.432 -178.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.74 -38.68 61.24 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.101 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -27.38 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 111.074 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 ptm -82.2 -34.25 29.05 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.26 -30.84 70.71 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.722 0.773 . . . . 0.0 110.413 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.91 -17.19 60.61 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.491 1.516 . . . . 0.0 112.8 179.235 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -2.32 97.92 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 125.989 2.056 . . . . 0.0 112.033 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.696 -179.245 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.7 t -147.56 152.42 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.647 0.261 . . . . 0.0 110.397 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -152.39 63.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.61 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 5' ' ' THR . 18.4 t70 -80.57 179.88 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.436 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -51.65 -28.53 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.057 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -54.89 16.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.068 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' O ' ' OG ' ' A' ' 10' ' ' SER . . . -56.55 -49.77 73.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.361 179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.3 -55.42 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.24 -46.52 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.79 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 5.9 p -56.04 -53.65 54.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -50.5 -49.06 56.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.584 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.65 -51.99 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.256 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.451 ' C ' ' H ' ' A' ' 15' ' ' GLY . 73.4 p -55.37 -50.32 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.069 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -71.32 45.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.74 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.451 ' H ' ' C ' ' A' ' 13' ' ' THR . . . -170.69 42.81 0.19 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLY . 1.1 tm0? -70.02 107.67 3.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 17.64 56.33 0.01 OUTLIER Glycine 0 N--CA 1.474 1.191 0 O-C-N 125.13 1.519 . . . . 0.0 112.487 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.16 -165.54 1.29 Allowed 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.649 0.261 . . . . 0.0 110.966 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 tpt -76.94 1.45 17.64 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -29.1 59.16 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.96 -43.36 12.43 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -25.58 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 176.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -63.59 -54.89 28.52 Favored Glycine 0 C--O 1.217 -0.961 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -44.21 -44.0 7.52 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.003 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -54.9 -42.51 72.25 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.287 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.9 mm -51.21 -38.35 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -40.42 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.072 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.48 -54.9 18.78 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.306 -1.425 . . . . 0.0 109.591 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.33 63.26 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 117.396 0.598 . . . . 0.0 110.456 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.76 -55.12 29.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.998 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -53.26 -40.07 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.077 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.46 -52.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.737 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -54.3 -40.92 68.37 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.69 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.31 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -48.32 -49.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.14 96.34 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.084 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.13 -44.21 19.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.92 -34.17 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.355 0.577 . . . . 0.0 110.391 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.62 -53.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.68 -39.17 61.67 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -51.55 -26.33 8.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.075 0.464 . . . . 0.0 110.793 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.2 mtm -80.74 -35.78 32.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' CD1' ' A' ' 43' ' ' LEU . 7.4 mp -63.3 -29.75 71.02 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.673 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -18.58 60.85 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.936 1.294 . . . . 0.0 112.206 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 2.7 mmtm -34.46 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.926 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.379 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 95.1 t -148.41 152.64 12.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.693 0.282 . . . . 0.0 110.465 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -158.77 79.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.272 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 6.1 t70 -79.61 171.78 14.68 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.3 m -53.04 -27.55 20.3 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -49.24 -54.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.247 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.03 78.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.9 t -56.96 -55.27 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.905 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -61.41 -52.33 65.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.029 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.677 ' HG ' ' H ' ' A' ' 11' ' ' ALA . 20.4 p -56.58 -55.11 38.06 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.677 ' H ' ' HG ' ' A' ' 10' ' ' SER . . . -54.87 -49.29 71.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.035 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 13.5 mt -52.25 -54.62 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 15' ' ' GLY . 82.0 p -68.29 -43.6 77.34 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.13 73.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 13' ' ' THR . . . 163.01 80.51 0.04 OUTLIER Glycine 0 C--N 1.319 -0.362 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -62.17 76.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' GLY . . . -78.1 -176.17 45.85 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 20' ' ' LYS . 35.8 p-10 -101.94 -160.0 0.76 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.174 -0.513 . . . . 0.0 110.138 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 16.6 mtm -44.53 88.74 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.819 179.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -69.66 -24.92 63.68 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.365 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -85.39 -38.81 18.28 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -41.88 -26.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.077 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -66.38 -56.18 14.82 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.61 -45.83 12.57 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.489 -1.338 . . . . 0.0 110.214 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.82 -42.22 93.04 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.159 176.379 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.74 -35.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -72.95 -44.23 57.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.006 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.14 -54.55 18.78 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.17 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.464 0.632 . . . . 0.0 110.92 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.63 -54.62 33.03 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.16 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 24.1 t -52.06 -39.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.665 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.68 -52.31 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.806 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.59 -41.82 73.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -53.0 28.97 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.17 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.54 -48.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.308 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.25 90.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.73 -45.08 18.12 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' O ' ' CE ' ' A' ' 42' ' ' MET . 7.9 mp -59.5 -34.5 72.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.873 -0.78 . . . . 0.0 110.471 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.0 mt -64.74 -53.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.847 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -51.82 -39.34 58.62 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.188 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 m -52.91 -27.96 21.12 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.7 -33.44 27.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.29 -39.36 90.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.551 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -79.92 -18.15 51.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.674 -1.148 . . . . 0.0 108.709 174.63 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 38.55 -89.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.747 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.1 t -118.71 111.45 33.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.558 0.218 . . . . 0.0 110.428 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.81 36.44 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.976 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 5' ' ' THR . 19.3 t70 -76.81 176.25 8.69 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.496 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 3.0 m -52.16 -27.61 15.07 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -49.45 -54.7 16.26 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.35 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.91 -45.83 74.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.188 0.518 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -58.78 -54.93 26.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.75 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.12 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.003 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 13' ' ' THR . 93.5 p -58.29 -54.36 47.84 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.11 -46.56 61.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.742 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mt -56.89 -53.77 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 10' ' ' SER . 40.0 p -56.4 -41.13 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 -178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -68.26 55.01 0.07 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.486 0.491 . . . . 0.0 111.155 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.51 50.38 0.08 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLY . 0.0 OUTLIER -65.64 104.97 1.12 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 22.17 59.6 0.03 OUTLIER Glycine 0 N--CA 1.473 1.144 0 O-C-N 124.93 1.394 . . . . 0.0 112.158 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.515 ' CG ' ' H ' ' A' ' 19' ' ' MET . 12.3 t70 -99.33 -166.05 1.3 Allowed 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.515 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -82.68 6.44 17.92 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.646 -179.202 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -27.23 62.88 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 121.826 -0.546 . . . . 0.0 110.465 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.22 -41.41 13.74 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 pp -42.04 -24.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.6 -55.23 21.41 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.289 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -43.96 -45.12 7.53 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.601 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -56.08 -40.63 73.91 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.18 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.4 mm -51.47 -37.4 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -40.65 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 C-N-CA 119.085 -1.046 . . . . 0.0 109.96 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.37 -54.57 19.63 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 119.194 -1.479 . . . . 0.0 109.537 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.5 67.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.463 0.631 . . . . 0.0 110.636 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.75 -56.05 16.04 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.673 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -37.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.365 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.5 mt -65.93 -51.69 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.36 -41.33 75.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.22 -54.07 14.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.606 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -47.71 -47.17 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.102 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.64 94.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.968 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.37 -44.69 21.51 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.3 mm? -61.81 -34.77 76.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.424 0.612 . . . . 0.0 110.375 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mt -63.79 -53.18 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.237 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -38.48 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.612 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -26.34 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.009 0.433 . . . . 0.0 110.461 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 ttp -79.42 -37.25 37.56 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.13 -36.18 83.19 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.723 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -78.89 -20.63 48.97 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.929 0.871 . . . . 0.0 112.043 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -40.85 128.75 2.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.71 -1.586 . . . . 0.0 109.665 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.528 -179.84 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.467 ' CG1' ' N ' ' A' ' 3' ' ' ILE . 49.1 t -77.77 170.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.467 ' N ' ' CG1' ' A' ' 2' ' ' VAL . 1.2 pt -153.85 153.78 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.807 0.337 . . . . 0.0 110.252 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.5 p-10 -156.03 168.22 27.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -52.67 -28.77 23.06 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -49.62 -54.32 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.373 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.18 73.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.297 0.57 . . . . 0.0 110.139 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.55 -54.24 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.729 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -60.27 -52.83 63.61 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.04 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.406 ' O ' ' OG1' ' A' ' 13' ' ' THR . 95.2 p -57.23 -54.43 46.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.4 63.62 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.976 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.37 -54.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 14' ' ' ASP . 73.0 p -54.65 -39.02 67.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.414 ' N ' ' HG1' ' A' ' 13' ' ' THR . 16.2 t0 -67.98 52.78 0.07 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.676 0.61 . . . . 0.0 111.227 -179.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.27 48.98 0.07 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 1.1 pm0 -73.3 118.06 15.8 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 24.12 47.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.446 1.091 . . . . 0.0 112.369 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.52 ' CG ' ' H ' ' A' ' 19' ' ' MET . 32.6 t70 -91.35 -179.74 5.48 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.041 0.42 . . . . 0.0 110.661 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.52 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 2.8 ptm -74.47 11.28 1.03 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -27.69 61.08 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.73 -43.78 12.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -25.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.22 -54.91 26.88 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.17 -46.33 6.47 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 120.208 -0.996 . . . . 0.0 110.976 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -57.55 -39.32 76.41 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 118.596 -1.241 . . . . 0.0 110.372 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -52.96 -41.06 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.07 -41.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 118.87 -1.132 . . . . 0.0 110.917 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.21 -53.18 20.39 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.23 19.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.862 0.331 . . . . 0.0 110.513 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.73 -54.21 39.01 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.093 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -38.59 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.601 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.05 -52.01 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.57 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.3 mt -56.19 -42.24 76.83 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.99 -53.5 20.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.316 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -48.36 -48.95 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.383 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.58 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.568 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.21 -45.09 20.93 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.34 -33.83 72.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.735 -0.862 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 35.8 mt -64.96 -53.54 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.016 -178.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -39.28 67.19 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.479 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.09 -27.45 14.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.177 0.513 . . . . 0.0 111.249 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mtt -82.44 -34.28 28.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.06 -34.62 76.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.485 0.659 . . . . 0.0 109.909 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' LYS . 14.0 mmp_? -78.59 -18.99 53.74 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.787 176.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER 23.41 96.84 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 O-C-N 125.703 1.877 . . . . 0.0 110.254 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.036 -0.983 . . . . 0.0 111.314 -178.728 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -71.78 140.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.553 0.216 . . . . 0.0 110.488 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.87 57.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.763 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.514 ' CG ' ' H ' ' A' ' 5' ' ' THR . 18.2 t70 -71.58 178.99 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.514 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -52.74 -26.94 15.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -54.76 15.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.728 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.66 70.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.237 0.542 . . . . 0.0 109.873 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -59.9 -54.01 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.152 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.5 tt0 -56.7 -51.17 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.794 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.421 ' O ' ' OG1' ' A' ' 13' ' ' THR . 96.5 p -60.9 -54.55 43.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.15 -46.82 62.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.146 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.25 -52.78 47.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 10' ' ' SER . 46.4 p -54.52 -42.19 70.57 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.39 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -72.75 51.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 110.253 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.98 37.95 0.1 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -61.55 111.57 1.86 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.203 0.525 . . . . 0.0 111.988 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . -9.38 80.44 0.0 OUTLIER Glycine 0 N--CA 1.478 1.495 0 CA-C-N 114.453 -1.249 . . . . 0.0 114.572 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -122.32 -140.19 0.32 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.616 0.246 . . . . 0.0 110.99 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.4 mtp -80.19 -0.22 35.21 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.117 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -26.5 61.97 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.48 -38.89 16.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.32 -24.09 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.3 -54.52 29.21 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.762 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -42.86 -46.58 6.08 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.507 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.45 -40.72 75.3 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.633 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mp -54.86 -39.95 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.999 -0.438 . . . . 0.0 109.914 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.29 -41.2 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 118.443 -1.303 . . . . 0.0 110.806 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.88 -54.04 19.76 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 119.419 -1.372 . . . . 0.0 109.729 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.45 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.999 0.399 . . . . 0.0 110.811 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.31 -54.12 41.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.199 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -38.68 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.798 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.55 -52.26 53.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.838 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.08 -42.33 80.5 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 -53.8 16.66 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.213 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -48.17 -47.84 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.002 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.36 85.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.905 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.66 -44.63 17.24 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.3 mm? -59.8 -33.96 72.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.306 -0.526 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.4 mt -65.58 -54.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.289 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.36 -37.57 56.52 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.94 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -27.55 18.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 111.362 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.94 -35.34 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 mt -67.36 -36.42 81.35 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 46' ' ' ALA . 16.2 mtt85 -77.42 -20.5 54.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.403 1.096 . . . . 0.0 108.435 175.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' ' OXT' ' A' ' 46' ' ' ALA . 7.2 tptp 39.83 -80.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 111.91 -2.404 . . . . 0.0 111.211 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 C--O 1.218 -0.577 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -88.18 94.01 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.671 0.272 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.3 36.04 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.015 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -76.6 173.28 11.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.226 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 6.3 m -51.33 -26.77 8.11 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 10.8 t -48.6 -53.92 16.55 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.296 -0.961 . . . . 0.0 108.729 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.2 75.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.423 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.86 -55.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.698 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -58.76 -51.8 68.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.03 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.553 ' HG ' ' N ' ' A' ' 11' ' ' ALA . 98.3 p -58.49 -54.53 46.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.553 ' N ' ' HG ' ' A' ' 10' ' ' SER . . . -51.8 -48.71 63.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.059 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -54.71 -54.05 26.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 10' ' ' SER . 77.6 p -56.85 -40.86 76.87 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -68.69 55.75 0.09 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.47 0.482 . . . . 0.0 111.038 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.22 49.35 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' ASP . 4.7 pt20 -70.34 110.67 5.42 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 11.23 55.76 0.01 OUTLIER Glycine 0 N--CA 1.481 1.684 0 O-C-N 125.363 1.664 . . . . 0.0 112.273 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 16' ' ' GLN . 31.3 p-10 -100.96 -157.37 0.6 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.751 0.31 . . . . 0.0 111.128 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 19' ' ' MET . 1.3 tmt? -75.77 -5.16 44.48 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -74.45 -28.52 61.08 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.18 -43.91 11.87 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -25.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.58 -54.56 28.2 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.488 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -43.15 -45.76 6.33 Favored Glycine 0 CA--C 1.535 1.293 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.77 -41.36 86.43 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.399 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.42 -40.48 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 118.783 0.719 . . . . 0.0 109.788 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -75.3 -41.15 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.479 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.42 -53.5 19.98 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.8 -30.57 33.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.511 -0.405 . . . . 0.0 110.634 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.03 -54.36 35.43 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.028 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -52.74 -39.67 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.603 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.25 -52.46 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.882 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.56 -40.85 79.85 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.15 12.54 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.364 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 t -47.58 -46.76 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.851 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.32 93.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.783 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.8 -45.03 24.81 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.2 mm? -61.95 -34.76 76.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 117.475 0.637 . . . . 0.0 110.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mt -63.09 -52.77 54.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.949 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.89 -39.1 58.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.865 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -26.45 8.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.85 -36.51 36.65 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' CD1' ' C ' ' A' ' 43' ' ' LEU . 0.1 OUTLIER -65.74 -34.84 79.1 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.411 178.654 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' ALA . 89.6 mtt180 -77.06 -21.85 53.82 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.652 1.181 . . . . 0.0 112.201 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -42.73 95.95 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.5 -1.682 . . . . 0.0 110.041 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.565 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.99 122.01 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.437 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 pt -128.44 52.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.548 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.8 t70 -84.23 173.93 10.61 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.7 m -50.01 -27.39 5.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -50.31 -55.1 16.93 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.393 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.77 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.329 0.585 . . . . 0.0 110.012 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.12 -52.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.334 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.35 -52.81 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.841 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.413 ' O ' ' OG1' ' A' ' 13' ' ' THR . 85.6 p -57.82 -54.06 51.18 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.11 51.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.233 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.96 -50.73 79.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.504 ' C ' ' H ' ' A' ' 15' ' ' GLY . 29.8 p -53.34 -45.43 69.09 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -73.69 38.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' H ' ' C ' ' A' ' 13' ' ' THR . . . -169.48 56.69 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.503 ' C ' ' H ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -161.37 156.39 23.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.679 0.752 . . . . 0.0 112.339 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.66 -20.42 0.82 Allowed Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 16' ' ' GLN . 24.4 t70 -99.13 169.81 9.13 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.397 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.468 ' N ' ' CG ' ' A' ' 18' ' ' ASP . 0.2 OUTLIER -70.13 30.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.229 -178.727 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.443 ' H ' ' C ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -73.1 -25.63 60.94 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.851 -0.531 . . . . 0.0 112.261 -179.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.58 -41.4 14.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -41.0 -22.15 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.035 177.599 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.537 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -63.35 -54.4 32.52 Favored Glycine 0 C--O 1.219 -0.805 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.516 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.22 -47.25 6.68 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 119.873 -1.156 . . . . 0.0 110.677 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -57.07 -39.99 76.01 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.236 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.25 -39.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-N 118.628 0.649 . . . . 0.0 109.51 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -40.76 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.843 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.67 -54.92 15.39 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.93 19.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 117.05 0.425 . . . . 0.0 110.839 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.21 -54.33 39.24 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.065 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -38.49 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.685 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.01 -52.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.869 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.26 -41.82 76.4 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.21 -54.25 13.59 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.224 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -47.53 -48.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.278 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.95 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.08 -45.02 20.05 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.3 mm? -61.7 -33.86 74.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.512 0.656 . . . . 0.0 110.36 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -63.68 -52.93 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.333 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 1.0 OUTLIER -50.34 -36.08 30.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -179.412 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.417 ' H ' ' HG ' ' A' ' 41' ' ' SER . 0.9 OUTLIER -56.52 -27.07 56.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 179.138 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ttp -82.74 -38.21 23.57 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 pp -74.23 -32.79 63.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.142 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -76.31 -22.3 55.15 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.114 0.959 . . . . 0.0 108.794 176.542 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 15.42 74.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 111.285 -2.689 . . . . 0.0 111.113 179.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.336 -179.607 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 t -48.03 129.29 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pp -129.61 39.88 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.344 0.592 . . . . 0.0 110.447 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.526 ' CG ' ' H ' ' A' ' 5' ' ' THR . 26.8 t70 -76.66 179.2 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.972 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.526 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -51.84 -27.93 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -49.88 -55.17 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.579 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.73 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.384 0.611 . . . . 0.0 110.036 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.98 -53.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.097 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -57.89 -52.11 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.831 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.608 ' HG ' ' N ' ' A' ' 11' ' ' ALA . 53.0 p -58.8 -54.64 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.608 ' N ' ' HG ' ' A' ' 10' ' ' SER . . . -50.5 -46.97 57.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.335 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.5 -52.29 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.546 ' HG1' ' N ' ' A' ' 14' ' ' ASP . 66.0 p -55.66 -45.47 77.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.546 ' N ' ' HG1' ' A' ' 13' ' ' THR . 77.8 m-20 -70.34 50.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.546 0.529 . . . . 0.0 110.535 -179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.92 43.16 0.1 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.8 tt0 -64.82 106.63 1.25 Allowed 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 20.86 56.05 0.01 OUTLIER Glycine 0 N--CA 1.474 1.207 0 O-C-N 125.337 1.648 . . . . 0.0 111.394 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 19' ' ' MET . 5.9 t70 -93.37 -170.05 2.29 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.738 0.304 . . . . 0.0 110.914 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.466 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -82.58 4.87 22.87 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -25.63 62.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 111.395 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.63 -40.46 15.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.03 -24.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 114.1 -1.409 . . . . 0.0 107.543 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -54.83 -54.27 34.39 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -42.82 -51.26 5.85 Favored Glycine 0 CA--C 1.548 2.115 0 CA-C-N 115.384 -0.408 . . . . 0.0 112.805 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.01 -45.28 83.15 Favored 'General case' 0 CA--C 1.57 1.724 0 O-C-N 121.229 -1.159 . . . . 0.0 112.515 178.067 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tp -73.69 -35.5 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 30' ' ' LEU . 31.0 m -72.81 -48.06 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.93 -49.95 34.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.22 -28.99 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.7 tp -65.92 -53.46 39.03 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.088 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.96 -37.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.665 -178.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -67.61 -51.72 48.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.921 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.17 -40.26 73.64 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.503 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -53.67 14.8 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.428 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.5 t -47.82 -46.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.763 -178.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.65 97.36 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.018 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.85 -44.84 24.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 38' ' ' LEU . 4.2 mm? -61.82 -34.28 75.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.311 0.556 . . . . 0.0 110.375 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mt -63.4 -52.59 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.126 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.509 ' CD1' ' O ' ' A' ' 40' ' ' TYR . 1.7 t80 -52.34 -38.46 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.421 ' HG ' ' C ' ' A' ' 38' ' ' LEU . 0.6 OUTLIER -51.91 -27.51 13.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -81.12 -36.19 30.64 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.11 -29.61 65.63 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.408 178.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -75.21 -17.85 60.26 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.478 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -86.9 126.2 34.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.216 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.097 -0.954 . . . . 0.0 109.986 179.35 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 5' ' ' THR . 32.2 t70 . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 24.5 m -51.65 -27.65 12.13 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -49.29 -54.59 16.16 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.4 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.63 -44.78 66.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.27 -54.14 38.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.558 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.74 -52.59 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.9 p -58.88 -54.47 46.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.72 61.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mt -57.4 -53.39 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -55.26 -41.6 72.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 CA--C 1.531 0.246 0 O-C-N 123.522 0.514 . . . . 0.0 110.916 -179.32 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 tptp . . . . . 0 CA--C 1.533 0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.8 -40.63 14.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -42.14 -24.6 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.33 -54.61 25.74 Favored Glycine 0 C--O 1.22 -0.763 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.579 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.85 -44.14 12.83 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.227 -1.463 . . . . 0.0 109.635 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -55.13 -43.81 74.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.4 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -51.57 -36.97 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -73.01 -44.59 56.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.992 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.74 -55.7 16.64 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 119.667 -1.254 . . . . 0.0 110.017 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.32 -31.54 61.75 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.729 0.764 . . . . 0.0 110.551 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.32 -54.78 31.72 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.961 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.8 -39.37 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.958 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.27 -52.47 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.96 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -55.8 -41.02 73.53 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.7 -53.73 17.18 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.382 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 t -47.93 -48.19 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.275 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.75 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.933 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.82 21.94 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.81 -34.04 75.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.42 0.61 . . . . 0.0 110.174 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 39' ' ' ILE . 39.1 mt -64.36 -53.37 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.167 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -52.18 -38.67 58.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -26.85 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.841 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.3 ttp -79.98 -36.46 36.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.01 -32.25 71.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.112 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 0.0 111.473 177.766 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 5' ' ' THR . 16.7 t70 . . . . . 0 C--O 1.23 0.066 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.512 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.0 m -51.03 -28.16 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -49.84 -54.82 17.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.374 -0.931 . . . . 0.0 108.924 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.56 69.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.517 . . . . 0.0 110.045 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 -54.14 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.069 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.744 ' O ' HG23 ' A' ' 13' ' ' THR . 74.8 tt0 -55.67 -51.65 66.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.563 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.2 p -57.2 -53.85 53.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.07 60.41 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.79 -52.03 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 9' ' ' GLU . 72.6 p -55.24 -46.16 76.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.459 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.58 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.97 -43.91 12.01 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -24.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -64.31 -54.99 26.13 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.56 -43.43 10.93 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -57.65 -44.02 85.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.23 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.35 -37.5 18.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.77 -44.46 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.125 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.38 -55.04 17.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.66 -31.13 57.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.448 0.624 . . . . 0.0 110.747 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.79 -54.4 39.6 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.92 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -52.94 -39.73 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.086 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.65 -52.56 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.859 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.35 -41.04 71.97 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.46 19.58 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.289 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -48.39 -49.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.748 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -60.79 -42.07 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.061 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.14 20.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.32 -34.01 75.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.289 0.545 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 36' ' ' ALA . 41.4 mt -64.23 -53.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.74 -38.68 61.24 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.101 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -27.38 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 111.074 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 ptm -82.2 -34.25 29.05 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.26 -30.84 70.71 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.722 0.773 . . . . 0.0 110.413 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.834 0 C-N-CA 125.491 1.516 . . . . 0.0 112.8 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 5' ' ' THR . 18.4 t70 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.429 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -51.65 -28.53 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.057 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -54.89 16.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.068 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.77 73.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.361 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.3 -55.42 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER -51.24 -46.52 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.79 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 5.9 p -56.04 -53.65 54.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -50.5 -49.06 56.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.584 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.65 -51.99 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.256 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 9' ' ' GLU . 73.4 p -55.37 -50.32 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.069 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.74 -179.639 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.481 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.96 -43.36 12.43 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -25.58 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 176.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -63.59 -54.89 28.52 Favored Glycine 0 C--O 1.217 -0.961 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -44.21 -44.0 7.52 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.003 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -54.9 -42.51 72.25 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.287 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.9 mm -51.21 -38.35 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -40.42 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.072 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.48 -54.9 18.78 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.306 -1.425 . . . . 0.0 109.591 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.33 63.26 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 117.396 0.598 . . . . 0.0 110.456 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.76 -55.12 29.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.998 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -53.26 -40.07 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.077 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.46 -52.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.737 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -54.3 -40.92 68.37 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.69 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.31 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -48.32 -49.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.14 96.34 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.084 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.13 -44.21 19.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.92 -34.17 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.355 0.577 . . . . 0.0 110.391 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.62 -53.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.68 -39.17 61.67 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -51.55 -26.33 8.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.075 0.464 . . . . 0.0 110.793 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.2 mtm -80.74 -35.78 32.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 43' ' ' LEU . 7.4 mp -63.3 -29.75 71.02 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.673 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 124.936 1.294 . . . . 0.0 112.206 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 6.1 t70 . . . . . 0 CA--C 1.528 0.135 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.3 m -53.04 -27.55 20.3 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -49.24 -54.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.247 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.03 78.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 12' ' ' ILE . 81.9 t -56.96 -55.27 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.905 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -61.41 -52.33 65.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.029 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 20.4 p -56.58 -55.11 38.06 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -54.87 -49.29 71.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.035 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.515 HD12 HG12 ' A' ' 8' ' ' VAL . 13.5 mt -52.25 -54.62 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -68.29 -43.6 77.34 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.776 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -85.39 -38.81 18.28 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -41.88 -26.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.077 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -66.38 -56.18 14.82 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.61 -45.83 12.57 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.489 -1.338 . . . . 0.0 110.214 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.82 -42.22 93.04 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.159 176.379 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.74 -35.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -72.95 -44.23 57.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.006 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.14 -54.55 18.78 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.17 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.464 0.632 . . . . 0.0 110.92 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.63 -54.62 33.03 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.16 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.767 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.1 t -52.06 -39.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.665 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.68 -52.31 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.806 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.59 -41.82 73.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -53.0 28.97 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.17 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 31' ' ' VAL . 86.1 t -48.54 -48.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.308 -178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.25 90.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.73 -45.08 18.12 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' O ' ' CE ' ' A' ' 42' ' ' MET . 7.9 mp -59.5 -34.5 72.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.873 -0.78 . . . . 0.0 110.471 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.0 mt -64.74 -53.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.847 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -51.82 -39.34 58.62 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.188 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 m -52.91 -27.96 21.12 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.7 -33.44 27.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.29 -39.36 90.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.551 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 114.674 -1.148 . . . . 0.0 108.709 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 5' ' ' THR . 19.3 t70 . . . . . 0 C--O 1.231 0.104 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.479 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 3.0 m -52.16 -27.61 15.07 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -49.45 -54.7 16.26 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.35 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.91 -45.83 74.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.188 0.518 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -58.78 -54.93 26.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.75 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.12 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.003 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -58.29 -54.36 47.84 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.11 -46.56 61.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.742 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mt -56.89 -53.77 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.0 p -56.4 -41.13 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 N--CA 1.464 0.272 0 O-C-N 123.486 0.491 . . . . 0.0 111.155 -179.048 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.22 -41.41 13.74 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 pp -42.04 -24.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.6 -55.23 21.41 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.289 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -43.96 -45.12 7.53 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.601 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -56.08 -40.63 73.91 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.18 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.4 mm -51.47 -37.4 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -40.65 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 C-N-CA 119.085 -1.046 . . . . 0.0 109.96 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.37 -54.57 19.63 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 119.194 -1.479 . . . . 0.0 109.537 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.5 67.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.463 0.631 . . . . 0.0 110.636 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.75 -56.05 16.04 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.673 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -37.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.365 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.5 mt -65.93 -51.69 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.36 -41.33 75.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.22 -54.07 14.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.606 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -47.71 -47.17 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.102 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.64 94.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.968 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.37 -44.69 21.51 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -61.81 -34.77 76.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.424 0.612 . . . . 0.0 110.375 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mt -63.79 -53.18 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.237 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -38.48 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.612 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -26.34 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.009 0.433 . . . . 0.0 110.461 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 ttp -79.42 -37.25 37.56 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.13 -36.18 83.19 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.723 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.929 0.871 . . . . 0.0 112.043 177.696 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.5 p-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.565 0.221 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -52.67 -28.77 23.06 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -49.62 -54.32 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.373 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.18 73.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.297 0.57 . . . . 0.0 110.139 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.55 -54.24 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.729 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' THR . 3.9 tm-20 -60.27 -52.83 63.61 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.04 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -57.23 -54.43 46.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.4 63.62 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.976 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.37 -54.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' GLU . 73.0 p -54.65 -39.02 67.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 N--CA 1.466 0.331 0 O-C-N 123.676 0.61 . . . . 0.0 111.227 -179.17 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.73 -43.78 12.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -25.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.22 -54.91 26.88 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.17 -46.33 6.47 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 120.208 -0.996 . . . . 0.0 110.976 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -57.55 -39.32 76.41 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 118.596 -1.241 . . . . 0.0 110.372 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -52.96 -41.06 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.07 -41.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 118.87 -1.132 . . . . 0.0 110.917 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.21 -53.18 20.39 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.23 19.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.862 0.331 . . . . 0.0 110.513 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.73 -54.21 39.01 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.093 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -38.59 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.601 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.05 -52.01 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.57 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.3 mt -56.19 -42.24 76.83 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.99 -53.5 20.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.316 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -48.36 -48.95 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.383 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.58 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.568 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.21 -45.09 20.93 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.34 -33.83 72.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.735 -0.862 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 39' ' ' ILE . 35.8 mt -64.96 -53.54 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.016 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -39.28 67.19 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.479 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.09 -27.45 14.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.177 0.513 . . . . 0.0 111.249 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mtt -82.44 -34.28 28.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.06 -34.62 76.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.485 0.659 . . . . 0.0 109.909 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? . . . . . 0 N--CA 1.47 0.544 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.787 176.401 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 5' ' ' THR . 18.2 t70 . . . . . 0 C--O 1.231 0.086 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -52.74 -26.94 15.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -54.76 15.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.728 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.66 70.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.237 0.542 . . . . 0.0 109.873 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -59.9 -54.01 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.152 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 13' ' ' THR . 53.5 tt0 -56.7 -51.17 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.794 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p -60.9 -54.55 43.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.15 -46.82 62.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.146 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.25 -52.78 47.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 9' ' ' GLU . 46.4 p -54.52 -42.19 70.57 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.39 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.4 t0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 110.253 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.48 -38.89 16.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.32 -24.09 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.3 -54.52 29.21 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.762 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -42.86 -46.58 6.08 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.507 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.45 -40.72 75.3 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.633 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mp -54.86 -39.95 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.999 -0.438 . . . . 0.0 109.914 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.29 -41.2 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 118.443 -1.303 . . . . 0.0 110.806 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.88 -54.04 19.76 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 119.419 -1.372 . . . . 0.0 109.729 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.45 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.999 0.399 . . . . 0.0 110.811 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.31 -54.12 41.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.199 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -38.68 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.798 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.55 -52.26 53.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.838 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.08 -42.33 80.5 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 -53.8 16.66 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.213 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -48.17 -47.84 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.002 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.36 85.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.905 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.66 -44.63 17.24 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -59.8 -33.96 72.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.306 -0.526 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.4 mt -65.58 -54.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.289 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.36 -37.57 56.52 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.94 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -27.55 18.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 111.362 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.94 -35.34 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 10.9 mt -67.36 -36.42 81.35 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 122.403 1.096 . . . . 0.0 108.435 175.558 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 6.3 m -51.33 -26.77 8.11 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.441 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 10.8 t -48.6 -53.92 16.55 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.296 -0.961 . . . . 0.0 108.729 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.2 75.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.423 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.86 -55.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.698 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 13' ' ' THR . 82.6 tt0 -58.76 -51.8 68.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.03 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.3 p -58.49 -54.53 46.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.8 -48.71 63.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.059 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -54.71 -54.05 26.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 9' ' ' GLU . 77.6 p -56.85 -40.86 76.87 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 N--CA 1.464 0.269 0 O-C-N 123.47 0.482 . . . . 0.0 111.038 -179.213 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.18 -43.91 11.87 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -25.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.58 -54.56 28.2 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.488 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -43.15 -45.76 6.33 Favored Glycine 0 CA--C 1.535 1.293 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.77 -41.36 86.43 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.399 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.42 -40.48 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 118.783 0.719 . . . . 0.0 109.788 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -75.3 -41.15 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.479 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.42 -53.5 19.98 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.8 -30.57 33.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.511 -0.405 . . . . 0.0 110.634 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.03 -54.36 35.43 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.028 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -52.74 -39.67 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.603 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.25 -52.46 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.882 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.56 -40.85 79.85 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.15 12.54 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.364 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 t -47.58 -46.76 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.851 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.32 93.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.783 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.8 -45.03 24.81 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.95 -34.76 76.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 117.475 0.637 . . . . 0.0 110.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mt -63.09 -52.77 54.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.949 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.89 -39.1 58.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.865 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -26.45 8.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.85 -36.51 36.65 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -65.74 -34.84 79.1 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.411 178.654 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 . . . . . 0 N--CA 1.483 1.191 0 C-N-CA 124.652 1.181 . . . . 0.0 112.201 177.566 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.8 t70 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.7 m -50.01 -27.39 5.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -50.31 -55.1 16.93 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.393 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.77 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.329 0.585 . . . . 0.0 110.012 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.12 -52.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.334 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 13' ' ' THR . 0.6 OUTLIER -58.35 -52.81 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.841 -179.836 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -57.82 -54.06 51.18 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.11 51.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.233 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.96 -50.73 79.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 9' ' ' GLU . 29.8 p -53.34 -45.43 69.09 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 179.706 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.58 -41.4 14.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.973 HD13 ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -41.0 -22.15 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.035 177.599 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.973 ' N ' HD13 ' A' ' 22' ' ' ILE . . . -63.35 -54.4 32.52 Favored Glycine 0 C--O 1.219 -0.805 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.516 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.22 -47.25 6.68 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 119.873 -1.156 . . . . 0.0 110.677 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -57.07 -39.99 76.01 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.236 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.25 -39.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-N 118.628 0.649 . . . . 0.0 109.51 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -40.76 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.843 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.67 -54.92 15.39 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.93 19.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 117.05 0.425 . . . . 0.0 110.839 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.21 -54.33 39.24 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.065 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -38.49 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.685 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.01 -52.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.869 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.26 -41.82 76.4 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.21 -54.25 13.59 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.224 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -47.53 -48.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.278 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.95 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.08 -45.02 20.05 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -61.7 -33.86 74.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.512 0.656 . . . . 0.0 110.36 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -63.68 -52.93 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.333 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 1.0 OUTLIER -50.34 -36.08 30.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -179.412 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -27.07 56.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ttp -82.74 -38.21 23.57 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 44' ' ' ARG . 3.8 pp -74.23 -32.79 63.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.142 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.864 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 122.114 0.959 . . . . 0.0 108.794 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 5' ' ' THR . 26.8 t70 . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.517 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -51.84 -27.93 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -49.88 -55.17 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.579 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.73 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.384 0.611 . . . . 0.0 110.036 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.98 -53.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.097 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 13' ' ' THR . 86.5 tt0 -57.89 -52.11 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.0 p -58.8 -54.64 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.97 57.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.335 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.5 -52.29 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 9' ' ' GLU . 66.0 p -55.66 -45.47 77.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 C--N 1.331 -0.202 0 O-C-N 123.546 0.529 . . . . 0.0 110.535 -179.53 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.354 0 CA-C-O 121.008 0.432 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.63 -40.46 15.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.03 -24.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 114.1 -1.409 . . . . 0.0 107.543 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -54.83 -54.27 34.39 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -42.82 -51.26 5.85 Favored Glycine 0 CA--C 1.548 2.115 0 CA-C-N 115.384 -0.408 . . . . 0.0 112.805 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.01 -45.28 83.15 Favored 'General case' 0 CA--C 1.57 1.724 0 O-C-N 121.229 -1.159 . . . . 0.0 112.515 178.067 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tp -73.69 -35.5 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 28' ' ' GLY . 31.0 m -72.81 -48.06 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 27' ' ' VAL . . . -49.93 -49.95 34.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.22 -28.99 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.7 tp -65.92 -53.46 39.03 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.088 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.549 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -52.96 -37.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.665 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -67.61 -51.72 48.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.921 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.17 -40.26 73.64 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.503 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -53.67 14.8 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.428 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 31' ' ' VAL . 53.5 t -47.82 -46.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.763 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.65 97.36 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.018 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.85 -44.84 24.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.82 -34.28 75.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.311 0.556 . . . . 0.0 110.375 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mt -63.4 -52.59 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.126 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.509 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 1.7 t80 -52.34 -38.46 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -27.51 13.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -81.12 -36.19 30.64 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.866 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.11 -29.61 65.63 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.408 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 . . . . . 0 N--CA 1.475 0.787 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.478 177.515 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.1 t -104.3 109.8 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.664 0.268 . . . . 0.0 110.519 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -130.01 133.49 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.943 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 5' ' ' THR . 32.2 t70 -167.07 178.9 5.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.828 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 24.5 m -51.65 -27.65 12.13 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -49.29 -54.59 16.16 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.4 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.63 -44.78 66.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.27 -54.14 38.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.558 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.74 -52.59 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.9 p -58.88 -54.47 46.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.72 61.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mt -57.4 -53.39 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -55.26 -41.6 72.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -68.79 50.28 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 123.522 0.514 . . . . 0.0 110.916 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.9 48.81 0.1 OUTLIER Glycine 0 CA--C 1.523 0.59 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 4.9 pt20 -65.91 105.41 1.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 24.87 58.83 0.06 OUTLIER Glycine 0 N--CA 1.472 1.063 0 O-C-N 124.667 1.229 . . . . 0.0 112.076 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 19' ' ' MET . 40.7 t0 -93.9 -174.39 3.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.853 0.359 . . . . 0.0 111.008 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.579 ' SD ' ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -81.17 9.17 7.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.562 -179.461 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -71.03 -24.58 62.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.184 0.516 . . . . 0.0 111.018 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.8 -40.63 14.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -42.14 -24.6 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.33 -54.61 25.74 Favored Glycine 0 C--O 1.22 -0.763 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.579 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.85 -44.14 12.83 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.227 -1.463 . . . . 0.0 109.635 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -55.13 -43.81 74.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.4 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -51.57 -36.97 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -73.01 -44.59 56.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.992 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.74 -55.7 16.64 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 119.667 -1.254 . . . . 0.0 110.017 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.32 -31.54 61.75 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.729 0.764 . . . . 0.0 110.551 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.32 -54.78 31.72 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.961 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.8 -39.37 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.958 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.27 -52.47 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.96 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -55.8 -41.02 73.53 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.7 -53.73 17.18 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.382 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 t -47.93 -48.19 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.275 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.75 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.933 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.82 21.94 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.81 -34.04 75.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.42 0.61 . . . . 0.0 110.174 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 39' ' ' ILE . 39.1 mt -64.36 -53.37 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.167 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -52.18 -38.67 58.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -26.85 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.841 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.3 ttp -79.98 -36.46 36.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.01 -32.25 71.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.112 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -75.7 -19.6 58.99 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 0.0 111.473 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -59.02 111.15 1.21 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.412 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.444 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.24 125.77 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.552 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -139.67 52.81 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 5' ' ' THR . 16.7 t70 -80.14 177.39 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.512 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.0 m -51.03 -28.16 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -49.84 -54.82 17.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.374 -0.931 . . . . 0.0 108.924 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.56 69.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.517 . . . . 0.0 110.045 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 -54.14 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.069 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.744 ' O ' HG23 ' A' ' 13' ' ' THR . 74.8 tt0 -55.67 -51.65 66.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.563 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.2 p -57.2 -53.85 53.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.07 60.41 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.79 -52.03 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 9' ' ' GLU . 72.6 p -55.24 -46.16 76.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.459 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -69.89 45.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 13' ' ' THR . . . -173.41 46.66 0.16 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 2.3 pt20 -59.06 91.59 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 32.08 66.47 0.19 Allowed Glycine 0 CA--C 1.527 0.83 0 O-C-N 124.521 1.138 . . . . 0.0 110.533 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' A' ' 19' ' ' MET . 20.8 t70 -95.56 -173.65 2.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 111.268 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.503 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -75.63 11.79 1.22 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.488 -178.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.07 -27.6 60.98 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.97 -43.91 12.01 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -24.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -64.31 -54.99 26.13 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.56 -43.43 10.93 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -57.65 -44.02 85.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.23 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.35 -37.5 18.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.77 -44.46 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.125 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.38 -55.04 17.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.66 -31.13 57.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.448 0.624 . . . . 0.0 110.747 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.79 -54.4 39.6 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.92 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -52.94 -39.73 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.086 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.65 -52.56 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.859 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.35 -41.04 71.97 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.46 19.58 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.289 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -48.39 -49.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.748 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -60.79 -42.07 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.061 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.14 20.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.32 -34.01 75.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.289 0.545 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 36' ' ' ALA . 41.4 mt -64.23 -53.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.74 -38.68 61.24 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.101 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -27.38 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 111.074 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 ptm -82.2 -34.25 29.05 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.26 -30.84 70.71 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.722 0.773 . . . . 0.0 110.413 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.91 -17.19 60.61 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.491 1.516 . . . . 0.0 112.8 179.235 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -2.32 97.92 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 125.989 2.056 . . . . 0.0 112.033 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.696 -179.245 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.7 t -147.56 152.42 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.647 0.261 . . . . 0.0 110.397 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -152.39 63.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.61 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 5' ' ' THR . 18.4 t70 -80.57 179.88 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.429 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -51.65 -28.53 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.057 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -54.89 16.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.068 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.77 73.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.361 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.3 -55.42 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER -51.24 -46.52 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.79 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 5.9 p -56.04 -53.65 54.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -50.5 -49.06 56.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.584 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.65 -51.99 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.256 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 9' ' ' GLU . 73.4 p -55.37 -50.32 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.069 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -71.32 45.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.74 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 13' ' ' THR . . . -170.69 42.81 0.19 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLY . 1.1 tm0? -70.02 107.67 3.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 17.64 56.33 0.01 OUTLIER Glycine 0 N--CA 1.474 1.191 0 O-C-N 125.13 1.519 . . . . 0.0 112.487 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.16 -165.54 1.29 Allowed 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.649 0.261 . . . . 0.0 110.966 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 tpt -76.94 1.45 17.64 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -29.1 59.16 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.96 -43.36 12.43 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -25.58 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 176.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -63.59 -54.89 28.52 Favored Glycine 0 C--O 1.217 -0.961 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -44.21 -44.0 7.52 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.003 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -54.9 -42.51 72.25 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.287 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.9 mm -51.21 -38.35 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -40.42 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.072 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.48 -54.9 18.78 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.306 -1.425 . . . . 0.0 109.591 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.33 63.26 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 117.396 0.598 . . . . 0.0 110.456 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.76 -55.12 29.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.998 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -53.26 -40.07 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.077 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.46 -52.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.737 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -54.3 -40.92 68.37 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.69 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.31 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -48.32 -49.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.14 96.34 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.084 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.13 -44.21 19.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.92 -34.17 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.355 0.577 . . . . 0.0 110.391 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.62 -53.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.68 -39.17 61.67 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -51.55 -26.33 8.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.075 0.464 . . . . 0.0 110.793 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.2 mtm -80.74 -35.78 32.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 43' ' ' LEU . 7.4 mp -63.3 -29.75 71.02 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.673 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -18.58 60.85 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.936 1.294 . . . . 0.0 112.206 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 2.7 mmtm -34.46 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.926 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.379 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 3' ' ' ILE . 95.1 t -148.41 152.64 12.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.693 0.282 . . . . 0.0 110.465 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 2' ' ' VAL . 1.1 pt -158.77 79.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.272 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 6.1 t70 -79.61 171.78 14.68 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.3 m -53.04 -27.55 20.3 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -49.24 -54.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.247 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.03 78.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 12' ' ' ILE . 81.9 t -56.96 -55.27 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.905 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -61.41 -52.33 65.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.029 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 20.4 p -56.58 -55.11 38.06 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -54.87 -49.29 71.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.035 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.515 HD12 HG12 ' A' ' 8' ' ' VAL . 13.5 mt -52.25 -54.62 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 15' ' ' GLY . 82.0 p -68.29 -43.6 77.34 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.13 73.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 13' ' ' THR . . . 163.01 80.51 0.04 OUTLIER Glycine 0 C--N 1.319 -0.362 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -62.17 76.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' GLY . . . -78.1 -176.17 45.85 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 20' ' ' LYS . 35.8 p-10 -101.94 -160.0 0.76 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.174 -0.513 . . . . 0.0 110.138 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.414 ' O ' HG22 ' A' ' 22' ' ' ILE . 16.6 mtm -44.53 88.74 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.819 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -69.66 -24.92 63.68 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.365 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -85.39 -38.81 18.28 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -41.88 -26.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.077 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -66.38 -56.18 14.82 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.61 -45.83 12.57 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.489 -1.338 . . . . 0.0 110.214 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.82 -42.22 93.04 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.159 176.379 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.74 -35.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -72.95 -44.23 57.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.006 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.14 -54.55 18.78 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.17 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.464 0.632 . . . . 0.0 110.92 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.63 -54.62 33.03 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.16 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.767 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.1 t -52.06 -39.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.665 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.68 -52.31 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.806 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.59 -41.82 73.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -53.0 28.97 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.17 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 31' ' ' VAL . 86.1 t -48.54 -48.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.308 -178.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.25 90.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.73 -45.08 18.12 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' O ' ' CE ' ' A' ' 42' ' ' MET . 7.9 mp -59.5 -34.5 72.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.873 -0.78 . . . . 0.0 110.471 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.0 mt -64.74 -53.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.847 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -51.82 -39.34 58.62 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.188 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 m -52.91 -27.96 21.12 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.501 ' N ' ' SD ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.7 -33.44 27.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.29 -39.36 90.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.551 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -79.92 -18.15 51.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.674 -1.148 . . . . 0.0 108.709 174.63 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 38.55 -89.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.747 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.1 t -118.71 111.45 33.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.558 0.218 . . . . 0.0 110.428 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.81 36.44 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.976 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 5' ' ' THR . 19.3 t70 -76.81 176.25 8.69 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.479 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 3.0 m -52.16 -27.61 15.07 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -49.45 -54.7 16.26 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.35 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.91 -45.83 74.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.188 0.518 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -58.78 -54.93 26.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.75 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.12 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.003 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -58.29 -54.36 47.84 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.11 -46.56 61.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.742 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mt -56.89 -53.77 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.0 p -56.4 -41.13 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -68.26 55.01 0.07 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.486 0.491 . . . . 0.0 111.155 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.51 50.38 0.08 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.411 ' O ' ' C ' ' A' ' 17' ' ' GLY . 5.4 pm0 -65.64 104.97 1.12 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 22.17 59.6 0.03 OUTLIER Glycine 0 N--CA 1.473 1.144 0 O-C-N 124.93 1.394 . . . . 0.0 112.158 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 19' ' ' MET . 12.3 t70 -99.33 -166.05 1.3 Allowed 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.496 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -82.68 6.44 17.92 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.646 -179.202 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -27.23 62.88 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 121.826 -0.546 . . . . 0.0 110.465 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.22 -41.41 13.74 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 pp -42.04 -24.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.6 -55.23 21.41 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.289 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -43.96 -45.12 7.53 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.601 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -56.08 -40.63 73.91 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.18 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.4 mm -51.47 -37.4 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -40.65 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 C-N-CA 119.085 -1.046 . . . . 0.0 109.96 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.37 -54.57 19.63 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 119.194 -1.479 . . . . 0.0 109.537 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.5 67.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.463 0.631 . . . . 0.0 110.636 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.75 -56.05 16.04 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.673 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -37.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.365 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.5 mt -65.93 -51.69 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.36 -41.33 75.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.22 -54.07 14.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.606 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -47.71 -47.17 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.102 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.64 94.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.968 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.37 -44.69 21.51 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -61.81 -34.77 76.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.424 0.612 . . . . 0.0 110.375 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mt -63.79 -53.18 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.237 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -38.48 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.612 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -26.34 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.009 0.433 . . . . 0.0 110.461 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 ttp -79.42 -37.25 37.56 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.13 -36.18 83.19 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.723 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -78.89 -20.63 48.97 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.929 0.871 . . . . 0.0 112.043 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -40.85 128.75 2.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.71 -1.586 . . . . 0.0 109.665 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.528 -179.84 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG12 ' N ' ' A' ' 3' ' ' ILE . 49.1 t -77.77 170.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.644 ' N ' HG12 ' A' ' 2' ' ' VAL . 1.2 pt -153.85 153.78 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.807 0.337 . . . . 0.0 110.252 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.5 p-10 -156.03 168.22 27.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -52.67 -28.77 23.06 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -49.62 -54.32 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.373 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.18 73.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.297 0.57 . . . . 0.0 110.139 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.55 -54.24 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.729 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' THR . 3.9 tm-20 -60.27 -52.83 63.61 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.04 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -57.23 -54.43 46.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.4 63.62 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.976 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.37 -54.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' GLU . 73.0 p -54.65 -39.02 67.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -67.98 52.78 0.07 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.676 0.61 . . . . 0.0 111.227 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.27 48.98 0.07 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 1.1 pm0 -73.3 118.06 15.8 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 24.12 47.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.446 1.091 . . . . 0.0 112.369 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 19' ' ' MET . 32.6 t70 -91.35 -179.74 5.48 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.041 0.42 . . . . 0.0 110.661 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.509 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 2.8 ptm -74.47 11.28 1.03 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -27.69 61.08 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.73 -43.78 12.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -25.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.22 -54.91 26.88 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.17 -46.33 6.47 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 120.208 -0.996 . . . . 0.0 110.976 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -57.55 -39.32 76.41 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 118.596 -1.241 . . . . 0.0 110.372 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -52.96 -41.06 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.07 -41.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 118.87 -1.132 . . . . 0.0 110.917 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.21 -53.18 20.39 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.23 19.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.862 0.331 . . . . 0.0 110.513 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.73 -54.21 39.01 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.093 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -38.59 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.601 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.05 -52.01 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.57 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.3 mt -56.19 -42.24 76.83 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.99 -53.5 20.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.316 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -48.36 -48.95 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.383 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.58 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.568 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.21 -45.09 20.93 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.34 -33.83 72.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.735 -0.862 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 39' ' ' ILE . 35.8 mt -64.96 -53.54 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.016 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -39.28 67.19 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.479 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.09 -27.45 14.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.177 0.513 . . . . 0.0 111.249 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mtt -82.44 -34.28 28.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.06 -34.62 76.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.485 0.659 . . . . 0.0 109.909 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' LYS . 14.0 mmp_? -78.59 -18.99 53.74 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.787 176.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER 23.41 96.84 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 O-C-N 125.703 1.877 . . . . 0.0 110.254 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.036 -0.983 . . . . 0.0 111.314 -178.728 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -71.78 140.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.553 0.216 . . . . 0.0 110.488 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.87 57.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.763 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 5' ' ' THR . 18.2 t70 -71.58 178.99 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -52.74 -26.94 15.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -54.76 15.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.728 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.66 70.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.237 0.542 . . . . 0.0 109.873 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -59.9 -54.01 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.152 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 13' ' ' THR . 53.5 tt0 -56.7 -51.17 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.794 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p -60.9 -54.55 43.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.15 -46.82 62.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.146 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.25 -52.78 47.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 9' ' ' GLU . 46.4 p -54.52 -42.19 70.57 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.39 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -72.75 51.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 110.253 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.98 37.95 0.1 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -61.55 111.57 1.86 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.203 0.525 . . . . 0.0 111.988 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . -9.38 80.44 0.0 OUTLIER Glycine 0 N--CA 1.478 1.495 0 CA-C-N 114.453 -1.249 . . . . 0.0 114.572 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -122.32 -140.19 0.32 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.616 0.246 . . . . 0.0 110.99 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.4 mtp -80.19 -0.22 35.21 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.117 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -26.5 61.97 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.48 -38.89 16.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.32 -24.09 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.3 -54.52 29.21 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.762 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -42.86 -46.58 6.08 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.507 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.45 -40.72 75.3 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.633 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mp -54.86 -39.95 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.999 -0.438 . . . . 0.0 109.914 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.29 -41.2 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 118.443 -1.303 . . . . 0.0 110.806 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.88 -54.04 19.76 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 119.419 -1.372 . . . . 0.0 109.729 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.45 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.999 0.399 . . . . 0.0 110.811 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.31 -54.12 41.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.199 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -38.68 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.798 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.55 -52.26 53.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.838 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.08 -42.33 80.5 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 -53.8 16.66 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.213 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -48.17 -47.84 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.002 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.36 85.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.905 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.66 -44.63 17.24 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -59.8 -33.96 72.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.306 -0.526 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.4 mt -65.58 -54.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.289 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.36 -37.57 56.52 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.94 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -27.55 18.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 111.362 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.94 -35.34 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 10.9 mt -67.36 -36.42 81.35 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 46' ' ' ALA . 16.2 mtt85 -77.42 -20.5 54.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.403 1.096 . . . . 0.0 108.435 175.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' ' OXT' ' A' ' 46' ' ' ALA . 7.2 tptp 39.83 -80.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 111.91 -2.404 . . . . 0.0 111.211 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 C--O 1.218 -0.577 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -88.18 94.01 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.671 0.272 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.3 36.04 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.015 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -76.6 173.28 11.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.226 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 6.3 m -51.33 -26.77 8.11 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.441 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 10.8 t -48.6 -53.92 16.55 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.296 -0.961 . . . . 0.0 108.729 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.2 75.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.423 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.86 -55.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.698 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 13' ' ' THR . 82.6 tt0 -58.76 -51.8 68.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.03 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.3 p -58.49 -54.53 46.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.8 -48.71 63.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.059 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -54.71 -54.05 26.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 9' ' ' GLU . 77.6 p -56.85 -40.86 76.87 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -68.69 55.75 0.09 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.47 0.482 . . . . 0.0 111.038 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.22 49.35 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' ASP . 4.7 pt20 -70.34 110.67 5.42 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 11.23 55.76 0.01 OUTLIER Glycine 0 N--CA 1.481 1.684 0 O-C-N 125.363 1.664 . . . . 0.0 112.273 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 16' ' ' GLN . 31.3 p-10 -100.96 -157.37 0.6 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.751 0.31 . . . . 0.0 111.128 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 19' ' ' MET . 1.3 tmt? -75.77 -5.16 44.48 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -74.45 -28.52 61.08 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.18 -43.91 11.87 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -25.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.58 -54.56 28.2 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.488 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -43.15 -45.76 6.33 Favored Glycine 0 CA--C 1.535 1.293 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.77 -41.36 86.43 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.399 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.42 -40.48 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 118.783 0.719 . . . . 0.0 109.788 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -75.3 -41.15 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.479 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.42 -53.5 19.98 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.8 -30.57 33.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.511 -0.405 . . . . 0.0 110.634 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.03 -54.36 35.43 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.028 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -52.74 -39.67 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.603 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.25 -52.46 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.882 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.56 -40.85 79.85 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.15 12.54 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.364 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 t -47.58 -46.76 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.851 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.32 93.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.783 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.8 -45.03 24.81 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.95 -34.76 76.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 117.475 0.637 . . . . 0.0 110.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mt -63.09 -52.77 54.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.949 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.89 -39.1 58.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.865 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -26.45 8.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.85 -36.51 36.65 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -65.74 -34.84 79.1 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.411 178.654 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' ALA . 89.6 mtt180 -77.06 -21.85 53.82 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.652 1.181 . . . . 0.0 112.201 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -42.73 95.95 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.5 -1.682 . . . . 0.0 110.041 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.565 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.99 122.01 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.437 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 pt -128.44 52.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.548 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.8 t70 -84.23 173.93 10.61 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.7 m -50.01 -27.39 5.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -50.31 -55.1 16.93 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.393 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.77 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.329 0.585 . . . . 0.0 110.012 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.12 -52.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.334 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 13' ' ' THR . 0.6 OUTLIER -58.35 -52.81 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.841 -179.836 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -57.82 -54.06 51.18 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.11 51.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.233 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.96 -50.73 79.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 9' ' ' GLU . 29.8 p -53.34 -45.43 69.09 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -73.69 38.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 13' ' ' THR . . . -169.48 56.69 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.503 ' C ' ' H ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -161.37 156.39 23.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.679 0.752 . . . . 0.0 112.339 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.66 -20.42 0.82 Allowed Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 16' ' ' GLN . 24.4 t70 -99.13 169.81 9.13 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.397 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.576 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -70.13 30.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.229 -178.727 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -73.1 -25.63 60.94 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.851 -0.531 . . . . 0.0 112.261 -179.466 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.58 -41.4 14.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.973 HD13 ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -41.0 -22.15 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.035 177.599 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.973 ' N ' HD13 ' A' ' 22' ' ' ILE . . . -63.35 -54.4 32.52 Favored Glycine 0 C--O 1.219 -0.805 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.516 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.22 -47.25 6.68 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 119.873 -1.156 . . . . 0.0 110.677 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -57.07 -39.99 76.01 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.236 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.25 -39.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-N 118.628 0.649 . . . . 0.0 109.51 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -40.76 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.843 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.67 -54.92 15.39 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.93 19.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 117.05 0.425 . . . . 0.0 110.839 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.21 -54.33 39.24 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.065 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -38.49 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.685 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.01 -52.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.869 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.26 -41.82 76.4 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.21 -54.25 13.59 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.224 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -47.53 -48.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.278 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.95 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.08 -45.02 20.05 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -61.7 -33.86 74.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.512 0.656 . . . . 0.0 110.36 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -63.68 -52.93 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.333 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 1.0 OUTLIER -50.34 -36.08 30.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -179.412 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -27.07 56.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ttp -82.74 -38.21 23.57 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 44' ' ' ARG . 3.8 pp -74.23 -32.79 63.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.142 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.864 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -76.31 -22.3 55.15 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.114 0.959 . . . . 0.0 108.794 176.542 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 15.42 74.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 111.285 -2.689 . . . . 0.0 111.113 179.551 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.336 -179.607 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 t -48.03 129.29 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.407 ' H ' HD12 ' A' ' 3' ' ' ILE . 1.2 pp -129.61 39.88 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.344 0.592 . . . . 0.0 110.447 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 5' ' ' THR . 26.8 t70 -76.66 179.2 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.972 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -51.84 -27.93 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -49.88 -55.17 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.579 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.73 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.384 0.611 . . . . 0.0 110.036 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.98 -53.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.097 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 13' ' ' THR . 86.5 tt0 -57.89 -52.11 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.0 p -58.8 -54.64 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.97 57.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.335 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.5 -52.29 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 9' ' ' GLU . 66.0 p -55.66 -45.47 77.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -70.34 50.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.546 0.529 . . . . 0.0 110.535 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.92 43.16 0.1 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLY . 15.1 tt0 -64.82 106.63 1.25 Allowed 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 20.86 56.05 0.01 OUTLIER Glycine 0 N--CA 1.474 1.207 0 O-C-N 125.337 1.648 . . . . 0.0 111.394 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 19' ' ' MET . 5.9 t70 -93.37 -170.05 2.29 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.738 0.304 . . . . 0.0 110.914 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.441 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -82.58 4.87 22.87 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.665 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -25.63 62.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 111.395 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.63 -40.46 15.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.03 -24.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 114.1 -1.409 . . . . 0.0 107.543 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -54.83 -54.27 34.39 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -42.82 -51.26 5.85 Favored Glycine 0 CA--C 1.548 2.115 0 CA-C-N 115.384 -0.408 . . . . 0.0 112.805 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.01 -45.28 83.15 Favored 'General case' 0 CA--C 1.57 1.724 0 O-C-N 121.229 -1.159 . . . . 0.0 112.515 178.067 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tp -73.69 -35.5 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 28' ' ' GLY . 31.0 m -72.81 -48.06 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 27' ' ' VAL . . . -49.93 -49.95 34.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.22 -28.99 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.7 tp -65.92 -53.46 39.03 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.088 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.549 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -52.96 -37.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.665 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -67.61 -51.72 48.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.921 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.17 -40.26 73.64 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.503 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -53.67 14.8 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.428 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 31' ' ' VAL . 53.5 t -47.82 -46.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.763 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.65 97.36 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.018 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.85 -44.84 24.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.82 -34.28 75.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.311 0.556 . . . . 0.0 110.375 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mt -63.4 -52.59 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.126 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.509 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 1.7 t80 -52.34 -38.46 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -27.51 13.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -81.12 -36.19 30.64 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.866 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.11 -29.61 65.63 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.408 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -75.21 -17.85 60.26 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.478 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -86.9 126.2 34.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.216 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.097 -0.954 . . . . 0.0 109.986 179.35 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 5' ' ' THR . 32.2 t70 . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 24.5 m -51.65 -27.65 12.13 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -49.29 -54.59 16.16 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.4 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.63 -44.78 66.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.27 -54.14 38.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.558 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.74 -52.59 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.9 p -58.88 -54.47 46.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.72 61.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mt -57.4 -53.39 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -55.26 -41.6 72.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 . . . . . 0 CA--C 1.531 0.246 0 O-C-N 123.522 0.514 . . . . 0.0 110.916 -179.32 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 tptp . . . . . 0 CA--C 1.533 0.315 0 CA-C-O 121.184 0.516 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.8 -40.63 14.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -42.14 -24.6 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.33 -54.61 25.74 Favored Glycine 0 C--O 1.22 -0.763 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.579 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.85 -44.14 12.83 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.227 -1.463 . . . . 0.0 109.635 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -55.13 -43.81 74.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.4 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -51.57 -36.97 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -73.01 -44.59 56.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.992 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.74 -55.7 16.64 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 119.667 -1.254 . . . . 0.0 110.017 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.32 -31.54 61.75 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.729 0.764 . . . . 0.0 110.551 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.32 -54.78 31.72 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.961 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.8 -39.37 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.958 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.27 -52.47 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.96 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -55.8 -41.02 73.53 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.7 -53.73 17.18 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.382 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 t -47.93 -48.19 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.275 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.75 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.933 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.82 21.94 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.81 -34.04 75.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.42 0.61 . . . . 0.0 110.174 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 39' ' ' ILE . 39.1 mt -64.36 -53.37 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.167 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -52.18 -38.67 58.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -26.85 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.841 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.3 ttp -79.98 -36.46 36.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.01 -32.25 71.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.112 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 . . . . . 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 0.0 111.473 177.766 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 5' ' ' THR . 16.7 t70 . . . . . 0 C--O 1.23 0.066 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.512 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.0 m -51.03 -28.16 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -49.84 -54.82 17.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.374 -0.931 . . . . 0.0 108.924 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.56 69.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.517 . . . . 0.0 110.045 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 -54.14 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.069 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.744 ' O ' HG23 ' A' ' 13' ' ' THR . 74.8 tt0 -55.67 -51.65 66.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.563 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.2 p -57.2 -53.85 53.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.07 60.41 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.79 -52.03 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 9' ' ' GLU . 72.6 p -55.24 -46.16 76.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.459 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.58 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.97 -43.91 12.01 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -24.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -64.31 -54.99 26.13 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.56 -43.43 10.93 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -57.65 -44.02 85.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.23 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.35 -37.5 18.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.77 -44.46 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.125 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.38 -55.04 17.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.66 -31.13 57.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.448 0.624 . . . . 0.0 110.747 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.79 -54.4 39.6 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.92 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -52.94 -39.73 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.086 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.65 -52.56 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.859 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.35 -41.04 71.97 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.46 19.58 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.289 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -48.39 -49.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.748 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -60.79 -42.07 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.061 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.14 20.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.32 -34.01 75.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.289 0.545 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 36' ' ' ALA . 41.4 mt -64.23 -53.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.74 -38.68 61.24 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.101 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -27.38 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 111.074 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 ptm -82.2 -34.25 29.05 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.26 -30.84 70.71 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.722 0.773 . . . . 0.0 110.413 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.834 0 C-N-CA 125.491 1.516 . . . . 0.0 112.8 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 5' ' ' THR . 18.4 t70 . . . . . 0 C--O 1.232 0.133 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.429 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -51.65 -28.53 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.057 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -54.89 16.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.068 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.77 73.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.361 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.3 -55.42 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER -51.24 -46.52 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.79 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 5.9 p -56.04 -53.65 54.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -50.5 -49.06 56.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.584 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.65 -51.99 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.256 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 9' ' ' GLU . 73.4 p -55.37 -50.32 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.069 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.74 -179.639 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.481 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.96 -43.36 12.43 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -25.58 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 176.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -63.59 -54.89 28.52 Favored Glycine 0 C--O 1.217 -0.961 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -44.21 -44.0 7.52 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.003 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -54.9 -42.51 72.25 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.287 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.9 mm -51.21 -38.35 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -40.42 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.072 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.48 -54.9 18.78 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.306 -1.425 . . . . 0.0 109.591 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.33 63.26 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 117.396 0.598 . . . . 0.0 110.456 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.76 -55.12 29.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.998 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -53.26 -40.07 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.077 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.46 -52.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.737 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -54.3 -40.92 68.37 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.69 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.31 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -48.32 -49.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.14 96.34 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.084 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.13 -44.21 19.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.92 -34.17 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.355 0.577 . . . . 0.0 110.391 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.62 -53.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.68 -39.17 61.67 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -51.55 -26.33 8.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.075 0.464 . . . . 0.0 110.793 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.2 mtm -80.74 -35.78 32.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 43' ' ' LEU . 7.4 mp -63.3 -29.75 71.02 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.673 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.849 0 C-N-CA 124.936 1.294 . . . . 0.0 112.206 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 6.1 t70 . . . . . 0 CA--C 1.528 0.135 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.3 m -53.04 -27.55 20.3 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -49.24 -54.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.247 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.03 78.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 12' ' ' ILE . 81.9 t -56.96 -55.27 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.905 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -61.41 -52.33 65.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.029 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 20.4 p -56.58 -55.11 38.06 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -54.87 -49.29 71.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.035 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.515 HD12 HG12 ' A' ' 8' ' ' VAL . 13.5 mt -52.25 -54.62 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -68.29 -43.6 77.34 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 . . . . . 0 N--CA 1.468 0.443 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.776 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.62 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -85.39 -38.81 18.28 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.573 HD13 ' O ' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -41.88 -26.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.077 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -66.38 -56.18 14.82 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.61 -45.83 12.57 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.489 -1.338 . . . . 0.0 110.214 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.82 -42.22 93.04 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.159 176.379 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.74 -35.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -72.95 -44.23 57.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.006 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.14 -54.55 18.78 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.17 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.464 0.632 . . . . 0.0 110.92 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.63 -54.62 33.03 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.16 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.767 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.1 t -52.06 -39.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.665 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.68 -52.31 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.806 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.59 -41.82 73.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -53.0 28.97 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.17 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 31' ' ' VAL . 86.1 t -48.54 -48.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.308 -178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.25 90.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.73 -45.08 18.12 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.422 ' O ' ' CE ' ' A' ' 42' ' ' MET . 7.9 mp -59.5 -34.5 72.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.873 -0.78 . . . . 0.0 110.471 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.0 mt -64.74 -53.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.847 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -51.82 -39.34 58.62 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.188 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 m -52.91 -27.96 21.12 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.7 -33.44 27.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.29 -39.36 90.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.551 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 CA-C-N 114.674 -1.148 . . . . 0.0 108.709 174.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 5' ' ' THR . 19.3 t70 . . . . . 0 C--O 1.231 0.104 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.479 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 3.0 m -52.16 -27.61 15.07 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -49.45 -54.7 16.26 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.35 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.91 -45.83 74.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.188 0.518 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -58.78 -54.93 26.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.75 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.12 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.003 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -58.29 -54.36 47.84 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.11 -46.56 61.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.742 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mt -56.89 -53.77 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.0 p -56.4 -41.13 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.1 t0 . . . . . 0 N--CA 1.464 0.272 0 O-C-N 123.486 0.491 . . . . 0.0 111.155 -179.048 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.532 0.285 0 CA-C-O 120.963 0.411 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.22 -41.41 13.74 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 pp -42.04 -24.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.6 -55.23 21.41 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.289 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -43.96 -45.12 7.53 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.601 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -56.08 -40.63 73.91 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.18 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.4 mm -51.47 -37.4 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -40.65 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 C-N-CA 119.085 -1.046 . . . . 0.0 109.96 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.37 -54.57 19.63 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 119.194 -1.479 . . . . 0.0 109.537 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.5 67.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.463 0.631 . . . . 0.0 110.636 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.75 -56.05 16.04 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.673 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -37.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.365 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.5 mt -65.93 -51.69 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.36 -41.33 75.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.22 -54.07 14.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.606 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -47.71 -47.17 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.102 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.64 94.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.968 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.37 -44.69 21.51 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -61.81 -34.77 76.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.424 0.612 . . . . 0.0 110.375 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mt -63.79 -53.18 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.237 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -38.48 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.612 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -26.34 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.009 0.433 . . . . 0.0 110.461 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 ttp -79.42 -37.25 37.56 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.13 -36.18 83.19 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.723 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 . . . . . 0 N--CA 1.48 1.066 0 CA-C-O 121.929 0.871 . . . . 0.0 112.043 177.696 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.5 p-10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.565 0.221 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -52.67 -28.77 23.06 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -49.62 -54.32 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.373 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.18 73.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.297 0.57 . . . . 0.0 110.139 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.55 -54.24 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.729 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' THR . 3.9 tm-20 -60.27 -52.83 63.61 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.04 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -57.23 -54.43 46.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.4 63.62 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.976 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.37 -54.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' GLU . 73.0 p -54.65 -39.02 67.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t0 . . . . . 0 N--CA 1.466 0.331 0 O-C-N 123.676 0.61 . . . . 0.0 111.227 -179.17 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.73 -43.78 12.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -25.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.22 -54.91 26.88 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.17 -46.33 6.47 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 120.208 -0.996 . . . . 0.0 110.976 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -57.55 -39.32 76.41 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 118.596 -1.241 . . . . 0.0 110.372 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -52.96 -41.06 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.07 -41.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 118.87 -1.132 . . . . 0.0 110.917 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.21 -53.18 20.39 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.23 19.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.862 0.331 . . . . 0.0 110.513 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.73 -54.21 39.01 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.093 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -38.59 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.601 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.05 -52.01 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.57 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.3 mt -56.19 -42.24 76.83 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.99 -53.5 20.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.316 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -48.36 -48.95 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.383 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.58 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.568 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.21 -45.09 20.93 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.34 -33.83 72.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.735 -0.862 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 39' ' ' ILE . 35.8 mt -64.96 -53.54 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.016 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -39.28 67.19 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.479 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.09 -27.45 14.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.177 0.513 . . . . 0.0 111.249 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mtt -82.44 -34.28 28.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.06 -34.62 76.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.485 0.659 . . . . 0.0 109.909 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.0 mmp_? . . . . . 0 N--CA 1.47 0.544 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.787 176.401 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 5' ' ' THR . 18.2 t70 . . . . . 0 C--O 1.231 0.086 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -52.74 -26.94 15.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -54.76 15.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.728 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.66 70.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.237 0.542 . . . . 0.0 109.873 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -59.9 -54.01 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.152 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 13' ' ' THR . 53.5 tt0 -56.7 -51.17 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.794 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p -60.9 -54.55 43.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.15 -46.82 62.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.146 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.25 -52.78 47.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 9' ' ' GLU . 46.4 p -54.52 -42.19 70.57 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.39 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.4 t0 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 110.253 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.534 0.35 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.48 -38.89 16.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.32 -24.09 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.53 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.3 -54.52 29.21 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.762 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -42.86 -46.58 6.08 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.507 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.45 -40.72 75.3 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.633 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mp -54.86 -39.95 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.999 -0.438 . . . . 0.0 109.914 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.29 -41.2 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 118.443 -1.303 . . . . 0.0 110.806 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.88 -54.04 19.76 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 119.419 -1.372 . . . . 0.0 109.729 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.45 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.999 0.399 . . . . 0.0 110.811 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.31 -54.12 41.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.199 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -38.68 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.798 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.55 -52.26 53.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.838 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.08 -42.33 80.5 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 -53.8 16.66 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.213 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -48.17 -47.84 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.002 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.36 85.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.905 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.66 -44.63 17.24 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -59.8 -33.96 72.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.306 -0.526 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.4 mt -65.58 -54.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.289 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.36 -37.57 56.52 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.94 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -27.55 18.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 111.362 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.94 -35.34 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 10.9 mt -67.36 -36.42 81.35 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 mtt85 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 122.403 1.096 . . . . 0.0 108.435 175.558 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.258 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 6.3 m -51.33 -26.77 8.11 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.441 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 10.8 t -48.6 -53.92 16.55 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.296 -0.961 . . . . 0.0 108.729 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.2 75.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.423 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.86 -55.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.698 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 13' ' ' THR . 82.6 tt0 -58.76 -51.8 68.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.03 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.3 p -58.49 -54.53 46.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.8 -48.71 63.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.059 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -54.71 -54.05 26.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 9' ' ' GLU . 77.6 p -56.85 -40.86 76.87 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 . . . . . 0 N--CA 1.464 0.269 0 O-C-N 123.47 0.482 . . . . 0.0 111.038 -179.213 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? . . . . . 0 N--CA 1.469 0.521 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.18 -43.91 11.87 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -25.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.58 -54.56 28.2 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.488 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -43.15 -45.76 6.33 Favored Glycine 0 CA--C 1.535 1.293 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.77 -41.36 86.43 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.399 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.42 -40.48 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 118.783 0.719 . . . . 0.0 109.788 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -75.3 -41.15 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.479 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.42 -53.5 19.98 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.8 -30.57 33.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.511 -0.405 . . . . 0.0 110.634 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.03 -54.36 35.43 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.028 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -52.74 -39.67 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.603 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.25 -52.46 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.882 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.56 -40.85 79.85 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.15 12.54 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.364 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 t -47.58 -46.76 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.851 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.32 93.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.783 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.8 -45.03 24.81 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.95 -34.76 76.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 117.475 0.637 . . . . 0.0 110.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mt -63.09 -52.77 54.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.949 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.89 -39.1 58.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.865 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -26.45 8.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.85 -36.51 36.65 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -65.74 -34.84 79.1 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.411 178.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 89.6 mtt180 . . . . . 0 N--CA 1.483 1.191 0 C-N-CA 124.652 1.181 . . . . 0.0 112.201 177.566 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.8 t70 . . . . . 0 N--CA 1.457 -0.113 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.7 m -50.01 -27.39 5.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -50.31 -55.1 16.93 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.393 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.77 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.329 0.585 . . . . 0.0 110.012 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.12 -52.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.334 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 13' ' ' THR . 0.6 OUTLIER -58.35 -52.81 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.841 -179.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -57.82 -54.06 51.18 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.11 51.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.233 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.96 -50.73 79.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 9' ' ' GLU . 29.8 p -53.34 -45.43 69.09 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 179.706 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.58 -41.4 14.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.973 HD13 ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -41.0 -22.15 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.035 177.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.973 ' N ' HD13 ' A' ' 22' ' ' ILE . . . -63.35 -54.4 32.52 Favored Glycine 0 C--O 1.219 -0.805 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.516 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.22 -47.25 6.68 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 119.873 -1.156 . . . . 0.0 110.677 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -57.07 -39.99 76.01 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.236 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.25 -39.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-N 118.628 0.649 . . . . 0.0 109.51 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -40.76 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.843 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.67 -54.92 15.39 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.93 19.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 117.05 0.425 . . . . 0.0 110.839 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.21 -54.33 39.24 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.065 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -38.49 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.685 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.01 -52.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.869 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.26 -41.82 76.4 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.21 -54.25 13.59 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.224 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -47.53 -48.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.278 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.95 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.08 -45.02 20.05 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -61.7 -33.86 74.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.512 0.656 . . . . 0.0 110.36 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -63.68 -52.93 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.333 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 1.0 OUTLIER -50.34 -36.08 30.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -179.412 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -27.07 56.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ttp -82.74 -38.21 23.57 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 44' ' ' ARG . 3.8 pp -74.23 -32.79 63.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.142 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.864 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 122.114 0.959 . . . . 0.0 108.794 176.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 5' ' ' THR . 26.8 t70 . . . . . 0 C--O 1.231 0.097 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.517 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -51.84 -27.93 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -49.88 -55.17 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.579 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.73 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.384 0.611 . . . . 0.0 110.036 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.98 -53.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.097 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 13' ' ' THR . 86.5 tt0 -57.89 -52.11 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.0 p -58.8 -54.64 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.97 57.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.335 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.5 -52.29 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 9' ' ' GLU . 66.0 p -55.66 -45.47 77.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 . . . . . 0 C--N 1.331 -0.202 0 O-C-N 123.546 0.529 . . . . 0.0 110.535 -179.53 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.354 0 CA-C-O 121.008 0.432 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.63 -40.46 15.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.03 -24.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 114.1 -1.409 . . . . 0.0 107.543 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -54.83 -54.27 34.39 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -42.82 -51.26 5.85 Favored Glycine 0 CA--C 1.548 2.115 0 CA-C-N 115.384 -0.408 . . . . 0.0 112.805 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.01 -45.28 83.15 Favored 'General case' 0 CA--C 1.57 1.724 0 O-C-N 121.229 -1.159 . . . . 0.0 112.515 178.067 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tp -73.69 -35.5 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 28' ' ' GLY . 31.0 m -72.81 -48.06 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 27' ' ' VAL . . . -49.93 -49.95 34.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.22 -28.99 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.7 tp -65.92 -53.46 39.03 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.088 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.549 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -52.96 -37.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.665 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -67.61 -51.72 48.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.921 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.17 -40.26 73.64 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.503 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -53.67 14.8 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.428 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 31' ' ' VAL . 53.5 t -47.82 -46.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.763 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.65 97.36 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.018 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.85 -44.84 24.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.82 -34.28 75.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.311 0.556 . . . . 0.0 110.375 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mt -63.4 -52.59 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.126 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.509 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 1.7 t80 -52.34 -38.46 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -27.51 13.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -81.12 -36.19 30.64 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.866 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.11 -29.61 65.63 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.408 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 . . . . . 0 N--CA 1.475 0.787 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.478 177.515 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 71.1 t -104.3 109.8 28.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.664 0.268 . . . . 0.0 110.519 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -130.01 133.49 64.37 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.943 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.434 ' CG ' ' H ' ' A' ' 5' ' ' THR . 32.2 t70 -167.07 178.9 5.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.828 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.434 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 24.5 m -51.65 -27.65 12.13 Favored 'General case' 0 C--O 1.225 -0.233 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.1 t -49.29 -54.59 16.16 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 119.392 -0.923 . . . . 0.0 109.4 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.63 -44.78 66.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.416 0.627 . . . . 0.0 109.767 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.27 -54.14 38.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.558 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.74 -52.59 65.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.839 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 82.9 p -58.88 -54.47 46.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.06 -47.72 61.72 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.189 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mt -57.4 -53.39 44.59 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.3 p -55.26 -41.6 72.42 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.612 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -68.79 50.28 0.07 Allowed 'General case' 0 CA--C 1.531 0.246 0 O-C-N 123.522 0.514 . . . . 0.0 110.916 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.9 48.81 0.1 OUTLIER Glycine 0 CA--C 1.523 0.59 0 N-CA-C 109.826 -1.31 . . . . 0.0 109.826 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 4.9 pt20 -65.91 105.41 1.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 24.87 58.83 0.06 OUTLIER Glycine 0 N--CA 1.472 1.063 0 O-C-N 124.667 1.229 . . . . 0.0 112.076 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.5 ' CG ' ' H ' ' A' ' 19' ' ' MET . 40.7 t0 -93.9 -174.39 3.41 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.853 0.359 . . . . 0.0 111.008 -179.021 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.579 ' SD ' ' N ' ' A' ' 19' ' ' MET . 0.0 OUTLIER -81.17 9.17 7.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.562 -179.461 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -71.03 -24.58 62.39 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.184 0.516 . . . . 0.0 111.018 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.8 -40.63 14.77 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -42.14 -24.6 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 107.353 -1.351 . . . . 0.0 107.353 177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.33 -54.61 25.74 Favored Glycine 0 C--O 1.22 -0.763 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.579 -178.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.85 -44.14 12.83 Favored Glycine 0 CA--C 1.527 0.838 0 C-N-CA 119.227 -1.463 . . . . 0.0 109.635 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -55.13 -43.81 74.46 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 119.044 -1.062 . . . . 0.0 109.4 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.516 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.8 OUTLIER -51.57 -36.97 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 N-CA-C 107.442 -1.318 . . . . 0.0 107.442 179.342 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 t -73.01 -44.59 56.63 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.435 0 C-N-CA 119.397 -0.921 . . . . 0.0 109.992 -178.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.74 -55.7 16.64 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 119.667 -1.254 . . . . 0.0 110.017 -178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.32 -31.54 61.75 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 117.729 0.764 . . . . 0.0 110.551 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -63.32 -54.78 31.72 Favored 'General case' 0 CA--C 1.519 -0.238 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.961 -178.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.8 -39.37 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.958 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.27 -52.47 47.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.96 -179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 90.1 mt -55.8 -41.02 73.53 Favored 'General case' 0 C--O 1.231 0.119 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.7 -53.73 17.18 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 119.744 -0.782 . . . . 0.0 110.382 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.4 t -47.93 -48.19 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.275 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.75 93.93 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.184 -0.606 . . . . 0.0 109.933 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.41 -44.82 21.94 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.603 -0.999 . . . . 0.0 110.603 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.81 -34.04 75.21 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 117.42 0.61 . . . . 0.0 110.174 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.406 HG21 HD13 ' A' ' 39' ' ' ILE . 39.1 mt -64.36 -53.37 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.167 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -52.18 -38.67 58.49 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.834 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 m -52.13 -26.85 12.3 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.047 0.451 . . . . 0.0 110.841 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.3 ttp -79.98 -36.46 36.03 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 114.618 1.34 . . . . 0.0 114.618 -178.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.3 tt -61.01 -32.25 71.84 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.112 177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.1 mtt85 -75.7 -19.6 58.99 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 124.643 1.177 . . . . 0.0 111.473 177.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.8 tppt? -59.02 111.15 1.21 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.146 -1.388 . . . . 0.0 110.412 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.554 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.444 179.92 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.319 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.5 t -72.24 125.77 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 0.0 110.552 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -139.67 52.81 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.989 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 5' ' ' THR . 16.7 t70 -80.14 177.39 8.98 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.512 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 2.0 m -51.03 -28.16 9.52 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.2 t -49.84 -54.82 17.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 119.374 -0.931 . . . . 0.0 108.924 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.56 69.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.185 0.517 . . . . 0.0 110.045 179.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -57.06 -54.14 34.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.069 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.744 ' O ' HG23 ' A' ' 13' ' ' THR . 74.8 tt0 -55.67 -51.65 66.52 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.563 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 92.2 p -57.2 -53.85 53.38 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.92 -49.07 60.41 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.602 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.79 -52.03 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 9' ' ' GLU . 72.6 p -55.24 -46.16 76.01 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.459 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -69.89 45.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.699 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 13' ' ' THR . . . -173.41 46.66 0.16 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 109.972 -1.251 . . . . 0.0 109.972 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 16' ' ' GLN . 2.3 pt20 -59.06 91.59 0.02 OUTLIER 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 32.08 66.47 0.19 Allowed Glycine 0 CA--C 1.527 0.83 0 O-C-N 124.521 1.138 . . . . 0.0 110.533 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.503 ' CG ' ' H ' ' A' ' 19' ' ' MET . 20.8 t70 -95.56 -173.65 2.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.905 0.383 . . . . 0.0 111.268 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.503 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 0.4 OUTLIER -75.63 11.79 1.22 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.488 -178.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.07 -27.6 60.98 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.52 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.97 -43.91 12.01 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 116.239 1.941 . . . . 0.0 116.239 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.65 -24.99 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 176.614 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -64.31 -54.99 26.13 Favored Glycine 0 C--O 1.22 -0.771 0 N-CA-C 110.174 -1.171 . . . . 0.0 110.174 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -45.56 -43.43 10.93 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 63.3 m-85 -57.65 -44.02 85.35 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 119.05 -1.06 . . . . 0.0 109.23 175.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.35 -37.5 18.64 Favored 'Isoleucine or valine' 0 C--N 1.361 1.098 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 179.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 t -72.77 -44.46 59.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.401 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.125 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.38 -55.04 17.79 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.66 -31.13 57.08 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 117.448 0.624 . . . . 0.0 110.747 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.79 -54.4 39.6 Favored 'General case' 0 CA--C 1.519 -0.232 0 C-N-CA 120.064 -0.654 . . . . 0.0 109.92 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.3 t -52.94 -39.73 33.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.086 -178.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 61.1 mt -65.65 -52.56 49.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.859 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.8 mt -55.35 -41.04 71.97 Favored 'General case' 0 C--O 1.232 0.167 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -179.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.29 -53.46 19.58 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 119.809 -0.756 . . . . 0.0 110.289 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 13.6 t -48.39 -49.45 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.748 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' HA ' HD12 ' A' ' 39' ' ' ILE . . . -60.79 -42.07 96.85 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.061 179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.27 -44.14 20.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -178.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.6 mt -62.32 -34.01 75.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 117.289 0.545 . . . . 0.0 110.306 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 36' ' ' ALA . 41.4 mt -64.23 -53.4 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.432 -178.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.74 -38.68 61.24 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.694 -0.402 . . . . 0.0 111.101 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.91 -27.38 12.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.978 0.418 . . . . 0.0 111.074 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 2.2 ptm -82.2 -34.25 29.05 Favored 'General case' 0 C--O 1.217 -0.649 0 N-CA-C 115.154 1.539 . . . . 0.0 115.154 -179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.26 -30.84 70.71 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.722 0.773 . . . . 0.0 110.413 179.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -74.91 -17.19 60.61 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.491 1.516 . . . . 0.0 112.8 179.235 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -2.32 97.92 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 125.989 2.056 . . . . 0.0 112.033 -179.459 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.976 -1.011 . . . . 0.0 110.696 -179.245 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.516 -1.433 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 72.7 t -147.56 152.42 12.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.647 0.261 . . . . 0.0 110.397 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -152.39 63.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.61 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.429 ' CG ' ' H ' ' A' ' 5' ' ' THR . 18.4 t70 -80.57 179.88 7.53 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.429 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -51.65 -28.53 14.83 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -179.057 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -49.77 -54.89 16.31 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 119.236 -0.986 . . . . 0.0 109.068 -178.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.55 -49.77 73.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.361 179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.3 -55.42 10.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 13' ' ' THR . 0.5 OUTLIER -51.24 -46.52 62.34 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.79 179.333 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.446 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 5.9 p -56.04 -53.65 54.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.446 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -50.5 -49.06 56.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.125 -0.943 . . . . 0.0 111.584 -178.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.3 mt -60.65 -51.99 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 119.949 -0.7 . . . . 0.0 109.256 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 9' ' ' GLU . 73.4 p -55.37 -50.32 70.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.069 -178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -71.32 45.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.74 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.416 ' H ' ' C ' ' A' ' 13' ' ' THR . . . -170.69 42.81 0.19 Allowed Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.183 -1.167 . . . . 0.0 110.183 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' O ' ' C ' ' A' ' 17' ' ' GLY . 1.1 tm0? -70.02 107.67 3.72 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 17.64 56.33 0.01 OUTLIER Glycine 0 N--CA 1.474 1.191 0 O-C-N 125.13 1.519 . . . . 0.0 112.487 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -96.16 -165.54 1.29 Allowed 'General case' 0 N--CA 1.461 0.113 0 CA-C-O 120.649 0.261 . . . . 0.0 110.966 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 2.3 tpt -76.94 1.45 17.64 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -178.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.59 -29.1 59.16 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -178.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.96 -43.36 12.43 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -25.58 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.058 0 N-CA-C 106.924 -1.509 . . . . 0.0 106.924 176.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' O ' ' N ' ' A' ' 26' ' ' ILE . . . -63.59 -54.89 28.52 Favored Glycine 0 C--O 1.217 -0.961 0 N-CA-C 110.259 -1.136 . . . . 0.0 110.259 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -44.21 -44.0 7.52 Favored Glycine 0 CA--C 1.525 0.713 0 C-N-CA 119.635 -1.269 . . . . 0.0 110.003 -177.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -54.9 -42.51 72.25 Favored 'General case' 0 CA--C 1.561 1.392 0 C-N-CA 119.422 -0.911 . . . . 0.0 110.287 175.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.9 mm -51.21 -38.35 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.66 -40.42 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.56 0 C-N-CA 118.867 -1.133 . . . . 0.0 110.072 -177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.48 -54.9 18.78 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 119.306 -1.425 . . . . 0.0 109.591 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.72 -32.33 63.26 Favored 'General case' 0 N--CA 1.455 -0.2 0 CA-C-N 117.396 0.598 . . . . 0.0 110.456 178.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.5 tp -62.76 -55.12 29.48 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 120.052 -0.659 . . . . 0.0 109.998 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 23.3 t -53.26 -40.07 37.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 120.837 -0.345 . . . . 0.0 111.077 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 77.3 mt -65.46 -52.32 52.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.737 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.7 mt -54.3 -40.92 68.37 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 112.068 0.396 . . . . 0.0 112.068 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -53.69 19.2 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 119.982 -0.687 . . . . 0.0 110.31 -179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -48.32 -49.57 12.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.552 -178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.64 -42.14 96.34 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.239 -0.584 . . . . 0.0 110.084 179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.13 -44.21 19.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.238 -1.145 . . . . 0.0 110.238 -178.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.0 mt -61.92 -34.17 75.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 117.355 0.577 . . . . 0.0 110.391 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 42.1 mt -64.62 -53.74 38.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.603 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.428 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.68 -39.17 61.67 Favored 'General case' 0 N--CA 1.462 0.15 0 C-N-CA 120.569 -0.452 . . . . 0.0 111.068 -179.879 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -51.55 -26.33 8.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.075 0.464 . . . . 0.0 110.793 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.2 mtm -80.74 -35.78 32.9 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 -178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.498 HD12 ' N ' ' A' ' 43' ' ' LEU . 7.4 mp -63.3 -29.75 71.02 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 119.952 -0.699 . . . . 0.0 109.673 177.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.98 -18.58 60.85 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.936 1.294 . . . . 0.0 112.206 178.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.659 ' O ' ' HB2' ' A' ' 46' ' ' ALA . 2.7 mmtm -34.46 -92.3 0.0 OUTLIER 'General case' 0 N--CA 1.483 1.177 0 CA-C-N 114.348 -1.296 . . . . 0.0 109.926 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.659 ' HB2' ' O ' ' A' ' 45' ' ' LYS . . . . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.379 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.324 0 N-CA-C 109.476 -1.449 . . . . 0.0 109.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.479 ' O ' HG23 ' A' ' 3' ' ' ILE . 95.1 t -148.41 152.64 12.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.693 0.282 . . . . 0.0 110.465 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.479 HG23 ' O ' ' A' ' 2' ' ' VAL . 1.1 pt -158.77 79.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.272 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 5' ' ' THR . 6.1 t70 -79.61 171.78 14.68 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.473 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.3 m -53.04 -27.55 20.3 Favored 'General case' 0 C--O 1.224 -0.275 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 t -49.24 -54.43 16.78 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 119.244 -0.982 . . . . 0.0 109.247 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.84 -48.03 78.97 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 110.51 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.515 HG12 HD12 ' A' ' 12' ' ' ILE . 81.9 t -56.96 -55.27 21.16 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-N 115.597 -0.728 . . . . 0.0 109.905 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.3 tt0 -61.41 -52.33 65.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.029 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 11' ' ' ALA . 20.4 p -56.58 -55.11 38.06 Favored 'General case' 0 C--O 1.222 -0.377 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' N ' ' OG ' ' A' ' 10' ' ' SER . . . -54.87 -49.29 71.52 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.663 -0.699 . . . . 0.0 111.035 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.515 HD12 HG12 ' A' ' 8' ' ' VAL . 13.5 mt -52.25 -54.62 13.67 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.553 ' O ' ' N ' ' A' ' 15' ' ' GLY . 82.0 p -68.29 -43.6 77.34 Favored 'General case' 0 N--CA 1.464 0.265 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 -177.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -53.13 73.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -177.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.553 ' N ' ' O ' ' A' ' 13' ' ' THR . . . 163.01 80.51 0.04 OUTLIER Glycine 0 C--N 1.319 -0.362 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -62.17 76.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' A' ' 15' ' ' GLY . . . -78.1 -176.17 45.85 Favored Glycine 0 N--CA 1.45 -0.405 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.539 ' O ' ' N ' ' A' ' 20' ' ' LYS . 35.8 p-10 -101.94 -160.0 0.76 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.174 -0.513 . . . . 0.0 110.138 179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.414 ' O ' HG22 ' A' ' 22' ' ' ILE . 16.6 mtm -44.53 88.74 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.819 179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.539 ' N ' ' O ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -69.66 -24.92 63.68 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -178.365 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -85.39 -38.81 18.28 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -41.88 -26.15 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 176.077 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -66.38 -56.18 14.82 Favored Glycine 0 C--O 1.224 -0.502 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 -178.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -45.61 -45.83 12.57 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 119.489 -1.338 . . . . 0.0 110.214 -177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -59.82 -42.22 93.04 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 118.492 -1.283 . . . . 0.0 109.159 176.379 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -51.74 -35.97 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.8 t -72.95 -44.23 57.86 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.391 0 C-N-CA 119.62 -0.832 . . . . 0.0 110.006 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.14 -54.55 18.78 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -54.81 -31.17 58.75 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 117.464 0.632 . . . . 0.0 110.92 178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.63 -54.62 33.03 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.16 -178.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.767 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.1 t -52.06 -39.17 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.665 -179.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 65.7 mt -65.68 -52.31 51.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.806 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.3 mt -55.59 -41.82 73.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.05 -53.0 28.97 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 119.908 -0.717 . . . . 0.0 110.17 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 31' ' ' VAL . 86.1 t -48.54 -48.88 14.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.308 -178.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.26 -42.25 90.71 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.292 -0.563 . . . . 0.0 109.942 178.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.73 -45.08 18.12 Favored Glycine 0 CA--C 1.531 1.084 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.422 ' O ' ' CE ' ' A' ' 42' ' ' MET . 7.9 mp -59.5 -34.5 72.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 121.873 -0.78 . . . . 0.0 110.471 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.0 mt -64.74 -53.89 36.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.847 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -51.82 -39.34 58.62 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 120.578 -0.449 . . . . 0.0 111.188 -179.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.3 m -52.91 -27.96 21.12 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.868 0.321 . . . . 0.0 111.868 179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.501 ' N ' ' SD ' ' A' ' 42' ' ' MET . 0.0 OUTLIER -82.7 -33.44 27.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 -179.399 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.29 -39.36 90.13 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.377 0.608 . . . . 0.0 110.551 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.519 ' O ' ' N ' ' A' ' 46' ' ' ALA . 0.0 OUTLIER -79.92 -18.15 51.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 114.674 -1.148 . . . . 0.0 108.709 174.63 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 38.55 -89.5 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 113.369 -1.741 . . . . 0.0 109.747 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 118.125 -0.94 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 94.1 t -118.71 111.45 33.76 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-O 120.558 0.218 . . . . 0.0 110.428 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -116.81 36.44 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.976 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 5' ' ' THR . 19.3 t70 -76.81 176.25 8.69 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.479 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 3.0 m -52.16 -27.61 15.07 Favored 'General case' 0 C--O 1.225 -0.227 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 t -49.45 -54.7 16.26 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 119.483 -0.887 . . . . 0.0 109.35 -178.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.91 -45.83 74.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.188 0.518 . . . . 0.0 110.177 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 80.7 t -58.78 -54.93 26.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.75 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -59.12 -52.35 66.08 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.003 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 93.5 p -58.29 -54.36 47.84 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.11 -46.56 61.89 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.742 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.6 mt -56.89 -53.77 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.244 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.0 p -56.4 -41.13 75.78 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.94 -178.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -68.26 55.01 0.07 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.486 0.491 . . . . 0.0 111.155 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.51 50.38 0.08 OUTLIER Glycine 0 CA--C 1.526 0.756 0 N-CA-C 109.774 -1.33 . . . . 0.0 109.774 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -65.64 104.97 1.12 Allowed 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.751 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.411 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 22.17 59.6 0.03 OUTLIER Glycine 0 N--CA 1.473 1.144 0 O-C-N 124.93 1.394 . . . . 0.0 112.158 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' CG ' ' H ' ' A' ' 19' ' ' MET . 12.3 t70 -99.33 -166.05 1.3 Allowed 'General case' 0 C--O 1.231 0.087 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.496 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -82.68 6.44 17.92 Favored 'General case' 0 C--O 1.224 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.646 -179.202 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -27.23 62.88 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 121.826 -0.546 . . . . 0.0 110.465 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.22 -41.41 13.74 Favored 'General case' 0 CA--C 1.532 0.263 0 N-CA-C 115.916 1.821 . . . . 0.0 115.916 179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 pp -42.04 -24.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -65.6 -55.23 21.41 Favored Glycine 0 C--O 1.219 -0.829 0 CA-C-N 114.345 -1.298 . . . . 0.0 111.289 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -43.96 -45.12 7.53 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 119.683 -1.246 . . . . 0.0 110.601 -176.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -56.08 -40.63 73.91 Favored 'General case' 0 CA--C 1.557 1.214 0 C-N-CA 119.237 -0.985 . . . . 0.0 110.18 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.509 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.4 mm -51.47 -37.4 19.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.37 -40.65 49.75 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.385 0 C-N-CA 119.085 -1.046 . . . . 0.0 109.96 -178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -50.37 -54.57 19.63 Favored Glycine 0 CA--C 1.526 0.726 0 C-N-CA 119.194 -1.479 . . . . 0.0 109.537 -179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.5 67.11 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 117.463 0.631 . . . . 0.0 110.636 178.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 tp -64.75 -56.05 16.04 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 120.107 -0.637 . . . . 0.0 110.673 -178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.78 -37.2 24.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.196 -0.602 . . . . 0.0 110.365 -178.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 31.5 mt -65.93 -51.69 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 71.1 mt -56.36 -41.33 75.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 -179.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.22 -54.07 14.34 Favored 'General case' 0 C--N 1.332 -0.16 0 C-N-CA 119.761 -0.776 . . . . 0.0 110.606 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.7 t -47.71 -47.17 11.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.102 -178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -41.64 94.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.288 -0.565 . . . . 0.0 109.968 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.37 -44.69 21.51 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.54 -1.024 . . . . 0.0 110.54 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.419 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -61.81 -34.77 76.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 117.424 0.612 . . . . 0.0 110.375 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 33.8 mt -63.79 -53.18 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.237 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -38.48 55.83 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.612 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -51.57 -26.34 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.009 0.433 . . . . 0.0 110.461 178.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 35.2 ttp -79.42 -37.25 37.56 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -64.13 -36.18 83.19 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.723 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -78.89 -20.63 48.97 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.929 0.871 . . . . 0.0 112.043 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -40.85 128.75 2.66 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.71 -1.586 . . . . 0.0 109.665 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.528 -179.84 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.352 0 N-CA-C 109.623 -1.391 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.644 HG12 ' N ' ' A' ' 3' ' ' ILE . 49.1 t -77.77 170.66 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.644 ' N ' HG12 ' A' ' 2' ' ' VAL . 1.2 pt -153.85 153.78 8.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.807 0.337 . . . . 0.0 110.252 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 49.5 p-10 -156.03 168.22 27.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.408 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 m -52.67 -28.77 23.06 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 t -49.62 -54.32 19.07 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 119.579 -0.848 . . . . 0.0 109.373 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.44 -46.18 73.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.297 0.57 . . . . 0.0 110.139 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.3 t -58.55 -54.24 35.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.729 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.484 ' O ' HG23 ' A' ' 13' ' ' THR . 3.9 tm-20 -60.27 -52.83 63.61 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.04 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 95.2 p -57.23 -54.43 46.83 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.72 -48.4 63.62 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.976 179.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.2 mm -55.37 -54.51 24.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.484 HG23 ' O ' ' A' ' 9' ' ' GLU . 73.0 p -54.65 -39.02 67.6 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.351 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -67.98 52.78 0.07 Allowed 'General case' 0 N--CA 1.466 0.331 0 O-C-N 123.676 0.61 . . . . 0.0 111.227 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 178.27 48.98 0.07 OUTLIER Glycine 0 CA--C 1.523 0.541 0 N-CA-C 108.897 -1.681 . . . . 0.0 108.897 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.525 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 1.1 pm0 -73.3 118.06 15.8 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.407 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 24.12 47.29 0.02 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.446 1.091 . . . . 0.0 112.369 -179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.509 ' CG ' ' H ' ' A' ' 19' ' ' MET . 32.6 t70 -91.35 -179.74 5.48 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 117.041 0.42 . . . . 0.0 110.661 -179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.509 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 2.8 ptm -74.47 11.28 1.03 Allowed 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -74.01 -27.69 61.08 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.523 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.73 -43.78 12.31 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 115.704 1.742 . . . . 0.0 115.704 179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.98 -25.52 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 N-CA-C 106.707 -1.59 . . . . 0.0 106.707 176.488 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.22 -54.91 26.88 Favored Glycine 0 C--N 1.338 0.665 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 -179.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.17 -46.33 6.47 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 120.208 -0.996 . . . . 0.0 110.976 -176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -57.55 -39.32 76.41 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 118.596 -1.241 . . . . 0.0 110.372 175.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.506 ' N ' ' O ' ' A' ' 23' ' ' GLY . 0.4 OUTLIER -52.96 -41.06 39.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.07 -41.35 38.04 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.009 0 C-N-CA 118.87 -1.132 . . . . 0.0 110.917 -177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.21 -53.18 20.39 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 109.202 -1.559 . . . . 0.0 109.202 -178.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.23 19.94 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 116.862 0.331 . . . . 0.0 110.513 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.73 -54.21 39.01 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 119.894 -0.722 . . . . 0.0 110.093 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -38.59 30.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 119.989 -0.685 . . . . 0.0 110.601 -178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.05 -52.01 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.57 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 91.3 mt -56.19 -42.24 76.83 Favored 'General case' 0 C--O 1.23 0.071 0 N-CA-C 112.446 0.536 . . . . 0.0 112.446 -178.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.99 -53.5 20.26 Favored 'General case' 0 CA--C 1.519 -0.222 0 C-N-CA 119.714 -0.794 . . . . 0.0 110.316 -179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 19.9 t -48.36 -48.95 13.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 C-N-CA 120.641 -0.423 . . . . 0.0 110.383 -178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.48 -41.58 90.11 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 119.925 -0.71 . . . . 0.0 109.568 178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.21 -45.09 20.93 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.409 -1.076 . . . . 0.0 110.409 -178.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -60.34 -33.83 72.97 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 121.735 -0.862 . . . . 0.0 110.308 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.401 HG21 HD13 ' A' ' 39' ' ' ILE . 35.8 mt -64.96 -53.54 40.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.655 -0.702 . . . . 0.0 112.016 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.43 -39.28 67.19 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.479 -179.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.09 -27.45 14.03 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.177 0.513 . . . . 0.0 111.249 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 1.4 mtt -82.44 -34.28 28.25 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 23.6 mt -62.06 -34.62 76.61 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.485 0.659 . . . . 0.0 109.909 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 45' ' ' LYS . 14.0 mmp_? -78.59 -18.99 53.74 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-N 114.731 -1.122 . . . . 0.0 110.787 176.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.6 OUTLIER 23.41 96.84 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.252 0 O-C-N 125.703 1.877 . . . . 0.0 110.254 179.526 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.036 -0.983 . . . . 0.0 111.314 -178.728 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 78.4 t -71.78 140.96 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.553 0.216 . . . . 0.0 110.488 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.87 57.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.763 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 5' ' ' THR . 18.2 t70 -71.58 178.99 3.22 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 110.156 -0.313 . . . . 0.0 110.156 179.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.505 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 0.2 OUTLIER -52.74 -26.94 15.62 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -49.28 -54.76 15.3 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 119.56 -0.856 . . . . 0.0 109.728 -178.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.27 -42.66 70.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.237 0.542 . . . . 0.0 109.873 179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.5 t -59.9 -54.01 40.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.152 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.694 ' O ' HG23 ' A' ' 13' ' ' THR . 53.5 tt0 -56.7 -51.17 69.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.794 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.5 p -60.9 -54.55 43.7 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.15 -46.82 62.12 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.146 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -56.25 -52.78 47.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.694 HG23 ' O ' ' A' ' 9' ' ' GLU . 46.4 p -54.52 -42.19 70.57 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.39 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -72.75 51.86 0.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.966 0.413 . . . . 0.0 110.253 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.98 37.95 0.1 Allowed Glycine 0 CA--C 1.525 0.716 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.526 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 0.7 OUTLIER -61.55 111.57 1.86 Allowed 'General case' 0 CA--C 1.534 0.344 0 CA-C-O 121.203 0.525 . . . . 0.0 111.988 -179.421 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . -9.38 80.44 0.0 OUTLIER Glycine 0 N--CA 1.478 1.495 0 CA-C-N 114.453 -1.249 . . . . 0.0 114.572 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -122.32 -140.19 0.32 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.616 0.246 . . . . 0.0 110.99 179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 5.4 mtp -80.19 -0.22 35.21 Favored 'General case' 0 C--O 1.227 -0.13 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.117 -179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.32 -26.5 61.97 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -86.48 -38.89 16.82 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 178.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.32 -24.09 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.53 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.3 -54.52 29.21 Favored Glycine 0 C--O 1.224 -0.48 0 CA-C-N 114.552 -1.204 . . . . 0.0 110.762 -178.815 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' GLY . . . -42.86 -46.58 6.08 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 119.985 -1.102 . . . . 0.0 110.507 -177.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -56.45 -40.72 75.3 Favored 'General case' 0 CA--C 1.558 1.259 0 C-N-CA 118.858 -1.137 . . . . 0.0 110.633 175.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mp -54.86 -39.95 50.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.482 0 O-C-N 121.999 -0.438 . . . . 0.0 109.914 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.29 -41.2 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.497 0 C-N-CA 118.443 -1.303 . . . . 0.0 110.806 -177.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.88 -54.04 19.76 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 119.419 -1.372 . . . . 0.0 109.729 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.32 -30.45 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.999 0.399 . . . . 0.0 110.811 178.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -63.31 -54.12 41.97 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.006 -0.678 . . . . 0.0 110.199 -178.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.98 -38.68 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 120.155 -0.618 . . . . 0.0 110.798 -178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -65.55 -52.26 53.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.838 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.6 mt -57.08 -42.33 80.5 Favored 'General case' 0 C--O 1.232 0.159 0 N-CA-C 112.298 0.481 . . . . 0.0 112.298 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.76 -53.8 16.66 Favored 'General case' 0 CA--C 1.519 -0.225 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.213 -178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.4 t -48.17 -47.84 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 C-N-CA 120.324 -0.55 . . . . 0.0 110.002 -178.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.24 -40.36 85.69 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.067 -0.653 . . . . 0.0 109.905 178.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -46.66 -44.63 17.24 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 110.545 -1.022 . . . . 0.0 110.545 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -59.8 -33.96 72.41 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.306 -0.526 . . . . 0.0 110.594 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 39.4 mt -65.58 -54.39 28.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.516 -0.766 . . . . 0.0 112.289 -177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.474 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 0.0 OUTLIER -52.36 -37.57 56.52 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.94 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.73 -27.55 18.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.802 0.334 . . . . 0.0 111.362 179.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -82.94 -35.34 26.09 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 ' H ' ' HG ' ' A' ' 43' ' ' LEU . 10.9 mt -67.36 -36.42 81.35 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.327 0.584 . . . . 0.0 110.271 179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' A' ' 46' ' ' ALA . 16.2 mtt85 -77.42 -20.5 54.49 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.403 1.096 . . . . 0.0 108.435 175.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.412 ' O ' ' OXT' ' A' ' 46' ' ' ALA . 7.2 tptp 39.83 -80.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 111.91 -2.404 . . . . 0.0 111.211 178.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.535 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 C--O 1.218 -0.577 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.666 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.272 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 97.6 t -88.18 94.01 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.671 0.272 . . . . 0.0 110.338 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -114.3 36.04 0.85 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.015 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.482 ' CG ' ' N ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -76.6 173.28 11.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.226 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.482 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 6.3 m -51.33 -26.77 8.11 Favored 'General case' 0 C--O 1.225 -0.214 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.441 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 10.8 t -48.6 -53.92 16.55 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.296 -0.961 . . . . 0.0 108.729 -178.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.77 -48.2 75.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.165 0.507 . . . . 0.0 110.423 179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.2 t -56.86 -55.09 21.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.671 -0.695 . . . . 0.0 109.698 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 13' ' ' THR . 82.6 tt0 -58.76 -51.8 68.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.03 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 98.3 p -58.49 -54.53 46.0 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -51.8 -48.71 63.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.059 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 29.6 mt -54.71 -54.05 26.58 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.491 HG23 ' O ' ' A' ' 9' ' ' GLU . 77.6 p -56.85 -40.86 76.87 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -178.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 33.7 m-20 -68.69 55.75 0.09 Allowed 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.47 0.482 . . . . 0.0 111.038 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.22 49.35 0.09 OUTLIER Glycine 0 CA--C 1.526 0.736 0 N-CA-C 109.995 -1.242 . . . . 0.0 109.995 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 18' ' ' ASP . 4.7 pt20 -70.34 110.67 5.42 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 11.23 55.76 0.01 OUTLIER Glycine 0 N--CA 1.481 1.684 0 O-C-N 125.363 1.664 . . . . 0.0 112.273 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 16' ' ' GLN . 31.3 p-10 -100.96 -157.37 0.6 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.751 0.31 . . . . 0.0 111.128 -178.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.493 ' SD ' ' O ' ' A' ' 19' ' ' MET . 1.3 tmt? -75.77 -5.16 44.48 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 tmtt? -74.45 -28.52 61.08 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -178.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' C ' ' N ' ' A' ' 23' ' ' GLY . . . -87.18 -43.91 11.87 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -42.38 -25.24 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.277 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 176.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' C ' ' A' ' 21' ' ' ALA . . . -64.58 -54.56 28.2 Favored Glycine 0 C--N 1.34 0.765 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.488 -179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -43.15 -45.76 6.33 Favored Glycine 0 CA--C 1.535 1.293 0 N-CA-C 109.906 -1.277 . . . . 0.0 109.906 -177.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -58.77 -41.36 86.43 Favored 'General case' 0 CA--C 1.563 1.468 0 C-N-CA 118.735 -1.186 . . . . 0.0 110.399 175.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.514 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.42 -40.48 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 118.783 0.719 . . . . 0.0 109.788 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 p -75.3 -41.15 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 118.79 -1.164 . . . . 0.0 110.479 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.42 -53.5 19.98 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 109.496 -1.441 . . . . 0.0 109.496 -179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.8 -30.57 33.98 Favored 'General case' 0 C--N 1.329 -0.315 0 O-C-N 122.511 -0.405 . . . . 0.0 110.634 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.03 -54.36 35.43 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.018 -0.673 . . . . 0.0 110.028 -178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 38.6 t -52.74 -39.67 31.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 120.343 -0.543 . . . . 0.0 110.603 -178.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.2 mt -66.25 -52.46 47.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.581 -0.448 . . . . 0.0 110.882 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 92.4 mt -57.56 -40.85 79.85 Favored 'General case' 0 C--O 1.231 0.113 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.88 -54.15 12.54 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.364 -178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.1 t -47.58 -46.76 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.851 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.39 -41.32 93.55 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.246 -0.582 . . . . 0.0 109.783 178.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.8 -45.03 24.81 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.95 -34.76 76.7 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 117.475 0.637 . . . . 0.0 110.265 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 37.5 mt -63.09 -52.77 54.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.949 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -51.89 -39.1 58.49 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.899 -0.32 . . . . 0.0 110.865 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.6 m -51.43 -26.45 8.04 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.021 0.438 . . . . 0.0 110.677 179.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 19.0 mmt -79.85 -36.51 36.65 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 114.701 1.371 . . . . 0.0 114.701 -178.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.852 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -65.74 -34.84 79.1 Favored 'General case' 0 CA--C 1.553 1.072 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.411 178.654 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.412 ' O ' ' N ' ' A' ' 46' ' ' ALA . 89.6 mtt180 -77.06 -21.85 53.82 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 124.652 1.181 . . . . 0.0 112.201 177.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -42.73 95.95 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 113.5 -1.682 . . . . 0.0 110.041 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 44' ' ' ARG . . . . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.565 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.338 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 90.4 t -66.99 122.01 17.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 121.056 -0.257 . . . . 0.0 110.437 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.8 pt -128.44 52.09 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.16 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.548 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 5' ' ' THR . 15.8 t70 -84.23 173.93 10.61 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 179.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' ASP . 3.7 m -50.01 -27.39 5.41 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.354 0.501 . . . . 0.0 112.354 -179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 t -50.31 -55.1 16.93 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.227 -0.989 . . . . 0.0 109.393 -179.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.75 -45.77 63.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.329 0.585 . . . . 0.0 110.012 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 42.0 t -58.12 -52.32 60.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.334 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 13' ' ' THR . 0.6 OUTLIER -58.35 -52.81 64.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.841 -179.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.6 p -57.82 -54.06 51.18 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -49.76 -47.11 51.09 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.233 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 37.3 mt -59.96 -50.73 79.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.88 HG23 ' O ' ' A' ' 9' ' ' GLU . 29.8 p -53.34 -45.43 69.09 Favored 'General case' 0 C--O 1.223 -0.31 0 N-CA-C 108.974 -0.75 . . . . 0.0 108.974 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -73.69 38.84 0.1 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.462 179.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 13' ' ' THR . . . -169.48 56.69 0.2 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 110.836 -0.906 . . . . 0.0 110.836 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.503 ' C ' ' H ' ' A' ' 18' ' ' ASP . 0.0 OUTLIER -161.37 156.39 23.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.679 0.752 . . . . 0.0 112.339 -179.873 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 71.66 -20.42 0.82 Allowed Glycine 0 CA--C 1.521 0.463 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.503 ' H ' ' C ' ' A' ' 16' ' ' GLN . 24.4 t70 -99.13 169.81 9.13 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-O 120.967 0.413 . . . . 0.0 110.397 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.576 ' O ' HD12 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -70.13 30.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.978 -0.556 . . . . 0.0 112.229 -178.727 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.433 ' H ' ' C ' ' A' ' 18' ' ' ASP . 0.5 OUTLIER -73.1 -25.63 60.94 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.851 -0.531 . . . . 0.0 112.261 -179.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.58 -41.4 14.32 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 115.889 1.811 . . . . 0.0 115.889 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.973 HD13 ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -41.0 -22.15 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 CA-C-N 114.584 -1.189 . . . . 0.0 108.035 177.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.973 ' N ' HD13 ' A' ' 22' ' ' ILE . . . -63.35 -54.4 32.52 Favored Glycine 0 C--O 1.219 -0.805 0 CA-C-N 114.76 -1.109 . . . . 0.0 110.516 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -43.22 -47.25 6.68 Favored Glycine 0 CA--C 1.536 1.368 0 C-N-CA 119.873 -1.156 . . . . 0.0 110.677 -176.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -57.07 -39.99 76.01 Favored 'General case' 0 CA--C 1.561 1.375 0 C-N-CA 118.413 -1.315 . . . . 0.0 110.236 175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.532 ' N ' ' O ' ' A' ' 23' ' ' GLY . 1.2 mm -53.25 -39.79 36.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-N 118.628 0.649 . . . . 0.0 109.51 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -75.47 -40.76 42.03 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 118.555 -1.258 . . . . 0.0 110.843 -177.29 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -49.67 -54.92 15.39 Favored Glycine 0 N--CA 1.448 -0.502 0 N-CA-C 109.758 -1.337 . . . . 0.0 109.758 -178.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.67 -29.93 19.92 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 117.05 0.425 . . . . 0.0 110.839 178.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.21 -54.33 39.24 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 119.759 -0.776 . . . . 0.0 110.065 -178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -53.11 -38.49 30.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 C-N-CA 119.977 -0.689 . . . . 0.0 110.685 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -66.01 -52.14 52.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.869 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 93.7 mt -56.26 -41.82 76.4 Favored 'General case' 0 C--O 1.231 0.11 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.21 -54.25 13.59 Favored 'General case' 0 CA--C 1.518 -0.269 0 C-N-CA 119.514 -0.874 . . . . 0.0 110.224 -178.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 22.9 t -47.53 -48.41 10.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.278 -178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.87 -41.39 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.042 -0.663 . . . . 0.0 109.95 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.08 -45.02 20.05 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.62 -0.992 . . . . 0.0 110.62 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.3 mm? -61.7 -33.86 74.75 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 117.512 0.656 . . . . 0.0 110.36 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 36.7 mt -63.68 -52.93 51.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.333 -178.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.432 ' CD1' ' C ' ' A' ' 40' ' ' TYR . 1.0 OUTLIER -50.34 -36.08 30.6 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.844 0.354 . . . . 0.0 111.077 -179.412 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -27.07 56.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.762 179.138 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.8 ttp -82.74 -38.21 23.57 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.864 HD12 ' N ' ' A' ' 44' ' ' ARG . 3.8 pp -74.23 -32.79 63.14 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 120.357 -0.537 . . . . 0.0 112.142 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.864 ' N ' HD12 ' A' ' 43' ' ' LEU . 0.1 OUTLIER -76.31 -22.3 55.15 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-O 122.114 0.959 . . . . 0.0 108.794 176.542 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER 15.42 74.55 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 111.285 -2.689 . . . . 0.0 111.113 179.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.875 -1.059 . . . . 0.0 110.336 -179.607 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 t -48.03 129.29 4.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.407 ' H ' HD12 ' A' ' 3' ' ' ILE . 1.2 pp -129.61 39.88 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.344 0.592 . . . . 0.0 110.447 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.517 ' CG ' ' H ' ' A' ' 5' ' ' THR . 26.8 t70 -76.66 179.2 6.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.972 179.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 0.8 OUTLIER -51.84 -27.93 14.17 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -179.37 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.5 t -49.88 -55.17 15.38 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 119.411 -0.916 . . . . 0.0 109.579 -178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.41 -43.73 68.18 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.384 0.611 . . . . 0.0 110.036 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 t -58.98 -53.5 47.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.097 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 13' ' ' THR . 86.5 tt0 -57.89 -52.11 66.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.831 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.0 p -58.8 -54.64 44.77 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.97 57.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.335 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.5 mt -59.5 -52.29 62.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.228 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 9' ' ' GLU . 66.0 p -55.66 -45.47 77.67 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.702 -179.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -70.34 50.9 0.12 Allowed 'General case' 0 C--N 1.331 -0.202 0 O-C-N 123.546 0.529 . . . . 0.0 110.535 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.92 43.16 0.1 Allowed Glycine 0 CA--C 1.524 0.619 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.43 ' O ' ' C ' ' A' ' 17' ' ' GLY . 2.8 tt0 -64.82 106.63 1.25 Allowed 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 179.386 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' GLN . . . 20.86 56.05 0.01 OUTLIER Glycine 0 N--CA 1.474 1.207 0 O-C-N 125.337 1.648 . . . . 0.0 111.394 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.441 ' CG ' ' H ' ' A' ' 19' ' ' MET . 5.9 t70 -93.37 -170.05 2.29 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-O 120.738 0.304 . . . . 0.0 110.914 -178.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.441 ' H ' ' CG ' ' A' ' 18' ' ' ASP . 0.9 OUTLIER -82.58 4.87 22.87 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 -179.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -25.63 62.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.008 0.432 . . . . 0.0 111.395 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . . . -86.63 -40.46 15.12 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 114.952 1.464 . . . . 0.0 114.952 179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 pp -41.03 -24.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 CA-C-N 114.1 -1.409 . . . . 0.0 107.543 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -54.83 -54.27 34.39 Favored Glycine 0 N--CA 1.447 -0.585 0 N-CA-C 109.851 -1.3 . . . . 0.0 109.851 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -42.82 -51.26 5.85 Favored Glycine 0 CA--C 1.548 2.115 0 CA-C-N 115.384 -0.408 . . . . 0.0 112.805 -176.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -57.01 -45.28 83.15 Favored 'General case' 0 CA--C 1.57 1.724 0 O-C-N 121.229 -1.159 . . . . 0.0 112.515 178.067 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.3 tp -73.69 -35.5 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 -178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 28' ' ' GLY . 31.0 m -72.81 -48.06 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.831 0 N-CA-C 106.433 -1.691 . . . . 0.0 106.433 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.51 ' N ' HG23 ' A' ' 27' ' ' VAL . . . -49.93 -49.95 34.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 108.31 -1.916 . . . . 0.0 108.31 178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -51.22 -28.99 12.87 Favored 'General case' 0 C--O 1.231 0.108 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 27' ' ' VAL . 1.7 tp -65.92 -53.46 39.03 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 120.023 -0.671 . . . . 0.0 110.088 -178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.549 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -52.96 -37.5 26.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 C-N-CA 119.952 -0.699 . . . . 0.0 110.665 -178.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.0 mt -67.61 -51.72 48.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.921 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.7 mt -56.17 -40.26 73.64 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 121.08 -0.248 . . . . 0.0 111.503 -179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.69 -53.67 14.8 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.428 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 31' ' ' VAL . 53.5 t -47.82 -46.8 12.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 C-N-CA 120.298 -0.561 . . . . 0.0 109.763 -178.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -41.65 97.36 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.018 178.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -47.85 -44.84 24.91 Favored Glycine 0 CA--C 1.527 0.827 0 N-CA-C 110.641 -0.984 . . . . 0.0 110.641 -178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' N ' HD22 ' A' ' 38' ' ' LEU . 4.2 mm? -61.82 -34.28 75.65 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 117.311 0.556 . . . . 0.0 110.375 -179.668 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 40.6 mt -63.4 -52.59 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.126 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.509 ' O ' ' CD1' ' A' ' 40' ' ' TYR . 1.7 t80 -52.34 -38.46 58.71 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -51.91 -27.51 13.23 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.753 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.2 tmm? -81.12 -36.19 30.64 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 115.919 1.822 . . . . 0.0 115.919 -177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.866 ' O ' HD12 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -58.11 -29.61 65.63 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.408 178.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -75.21 -17.85 60.26 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 114.297 -1.32 . . . . 0.0 111.478 177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -86.9 126.2 34.52 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.216 178.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.097 -0.954 . . . . 0.0 109.986 179.35 . . . . . . . . 0 0 . 1 stop_ save_