data_6ti6_residue ############################ # Computer software used # ############################ 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 6ti6 _Structure_validation_residue.Date_analyzed 2020-07-17 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 ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.526 0.203 . . . . 10.0 110.593 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 6.8 t60 -66.89 117.55 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.874 -0.788 . . . . 10.0 108.874 178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.67 84.97 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.128 0.489 . . . . 10.0 111.461 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HB2' ' CD2' ' A' ' 13' ' ' HIS . 50.4 tp60 -97.13 119.29 35.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -130.18 121.52 26.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.963 0.411 . . . . 10.0 111.565 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' A' ' 34' ' ' LEU . 18.8 mt -121.17 109.8 15.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.56 -0.904 . . . . 10.0 108.56 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.33 130.38 67.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -121.72 120.75 35.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.394 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.06 109.57 19.04 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.003 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -110.0 136.36 49.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.192 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.765 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.8 mm-40 -87.35 167.99 13.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.088 0.471 . . . . 10.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -144.2 94.17 2.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.572 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 43.0 t -132.21 -40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 110.189 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.94 -154.84 30.94 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.421 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.9 OUTLIER -74.26 125.48 28.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.63 -0.137 . . . . 10.0 110.63 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -59.32 149.82 27.8 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 30.8 tptt -150.71 -108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.628 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.479 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 165.01 125.06 0.74 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.368 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.7 153.6 20.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.696 0.284 . . . . 10.0 111.246 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.671 ' HB ' HD13 ' B' ' 31' ' ' ILE . 36.8 mm -103.89 98.34 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.244 0.545 . . . . 10.0 110.145 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' HB ' ' B' ' 32' ' ' ILE . 21.0 pt -111.27 135.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.57 96.65 0.54 Allowed Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.147 -0.781 . . . . 10.0 111.147 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD23 HD13 ' A' ' 17' ' ' LEU . 7.4 mp -92.02 85.81 5.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.503 . . . . 10.0 111.37 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.44 65.62 0.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.518 0.675 . . . . 10.0 110.35 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.45 124.42 39.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.06 123.09 6.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.05 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.52 106.57 0.37 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.365 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.88 140.2 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 10.0 110.944 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' B' ' 40' ' ' VAL . 61.9 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.492 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 . . . . . 0 C--O 1.234 0.25 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -97.99 125.04 42.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.713 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -133.01 122.24 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.663 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.492 ' HB2' HD23 ' A' ' 17' ' ' LEU . 7.2 mp -112.51 115.18 28.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.704 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.5 t -119.41 118.9 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.003 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.34 121.36 38.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 10.0 111.617 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.7 125.48 51.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.88 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -134.39 107.62 7.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 mt-10 -88.9 154.51 20.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.701 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.5 m-20 -144.48 58.35 1.32 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 62.4 t -76.54 -25.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.97 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 -62.42 1.3 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.178 -1.01 . . . . 10.0 111.335 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.709 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 21.9 p -166.99 124.02 1.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.701 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 9.7 m120 -61.98 153.02 30.65 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.614 0.571 . . . . 10.0 110.531 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 21.4 tptt -147.74 -111.5 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.714 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.642 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -179.24 105.59 0.2 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.767 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -88.13 156.45 19.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.574 0.226 . . . . 10.0 110.633 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.918 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.0 mm -100.53 101.97 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.475 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -116.2 106.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.748 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.96 115.8 5.4 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.809 -0.71 . . . . 10.0 112.012 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -110.27 90.61 3.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.466 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 1.5 mpt? -121.26 78.98 1.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.328 0.585 . . . . 10.0 111.134 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.691 HG13 ' HB ' ' C' ' 36' ' ' VAL . 44.7 t -96.81 130.84 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.143 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.75 122.45 5.02 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.826 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -136.25 116.69 1.49 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.881 -0.676 . . . . 10.0 111.553 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' C' ' 39' ' ' VAL . 34.8 m -129.41 143.54 40.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.032 0.444 . . . . 10.0 110.688 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' A' ' 40' ' ' VAL . 41.5 t -130.09 140.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.937 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.937 ' HA ' HG13 ' J' ' 31' ' ' ILE . 7.2 tp -62.2 135.38 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.045 0.45 . . . . 10.0 111.094 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.585 179.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.728 0.775 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -84.27 120.75 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.994 -1.003 . . . . 10.0 111.762 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -74.35 87.05 2.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.383 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.1 m170 -74.44 112.93 11.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.247 0.546 . . . . 10.0 111.651 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -124.05 100.1 6.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.23 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -110.43 118.17 35.56 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.011 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.464 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 52.5 mt -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.998 -1.112 . . . . 10.0 107.998 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' D' ' 18' ' ' VAL . 9.8 p -131.28 131.73 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 113.075 0.768 . . . . 10.0 113.075 -178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 16.2 m-85 -122.08 129.1 52.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.732 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.37 97.43 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.178 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 112.62 25.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.869 0.366 . . . . 10.0 110.168 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 53.2 mt-10 -103.7 153.79 20.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.053 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.564 ' HB2' HD21 ' D' ' 27' ' ' ASN . 2.6 t70 -146.52 124.89 12.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.832 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' D' ' 24' ' ' VAL . 1.7 m -138.93 19.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.78 -64.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.481 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -170.58 82.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.796 0.298 . . . . 10.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 58.2 t30 -52.29 145.0 11.7 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 69.0 tttt -132.03 -105.87 0.26 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -162.64 107.46 0.31 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.394 -1.384 . . . . 10.0 113.963 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -80.23 147.77 31.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' D' ' 31' ' ' ILE . 0.5 OUTLIER -107.91 92.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.111 0.481 . . . . 10.0 110.217 -179.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.822 HG22 ' HB ' ' D' ' 32' ' ' ILE . 15.4 pt -116.3 132.53 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.406 0.622 . . . . 10.0 112.138 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.73 114.47 2.45 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.321 -0.854 . . . . 10.0 111.584 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.463 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.4 mp -106.49 102.54 11.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.79 0.328 . . . . 10.0 110.372 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 2.2 mpt? -124.92 91.84 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 10.0 110.957 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.691 ' HB ' HG13 ' B' ' 36' ' ' VAL . 46.4 t -98.61 123.8 51.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.98 122.04 5.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.703 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . 0.422 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -135.7 124.58 3.34 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.077 -0.582 . . . . 10.0 112.034 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' B' ' 39' ' ' VAL . 4.4 p -130.12 121.16 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.436 0.636 . . . . 10.0 111.023 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' D' ' 42' ' ' ALA . 28.6 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.692 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 4.8 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -104.91 131.22 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 10.0 111.651 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . 0.625 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 5.2 t-160 -86.78 126.83 34.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.56 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . 0.532 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 96.8 m-70 -124.6 98.42 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -109.33 128.89 55.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.141 0.496 . . . . 10.0 111.503 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -131.56 114.98 15.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.053 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -110.84 115.34 29.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.38 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' C' ' 18' ' ' VAL . 11.9 t -124.14 122.75 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.821 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 41.3 m-85 -121.4 126.6 49.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.593 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.49 127.56 53.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.48 98.04 4.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -102.06 90.69 4.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.853 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -84.66 113.54 21.35 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.496 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.8 t -111.25 -30.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.98 -94.12 0.99 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.372 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.443 ' C ' HD22 ' E' ' 27' ' ' ASN . 23.6 m -132.6 103.33 6.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.564 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -56.01 149.66 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.652 -0.704 . . . . 10.0 112.132 -178.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 11.2 tttm -141.01 -78.51 0.28 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 10.0 111.114 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 150.91 119.82 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.553 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -99.81 164.31 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.494 0.187 . . . . 10.0 110.746 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.584 HD13 ' HB ' ' C' ' 31' ' ' ILE . 1.8 mm -105.07 115.81 47.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.822 ' HB ' HG22 ' C' ' 32' ' ' ILE . 76.5 mt -131.32 114.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.921 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -109.19 118.46 5.23 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.395 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.463 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.4 mm? -108.09 97.16 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.607 ' HB2' ' HG3' ' E' ' 35' ' ' MET . 1.7 mpt? -118.43 92.45 3.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.374 0.607 . . . . 10.0 111.045 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' C' ' 36' ' ' VAL . 61.8 t -98.08 121.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.783 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.425 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -116.76 118.24 4.1 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.335 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.35 127.63 4.76 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' HA3' ' L' ' 33' ' ' GLY . 11.0 m -133.08 144.69 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.485 HG13 HG13 ' C' ' 40' ' ' VAL . 7.3 p -154.41 140.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.136 0.494 . . . . 10.0 111.985 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.414 HG12 HG23 ' M' ' 31' ' ' ILE . 18.0 mm -75.35 122.28 28.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.16 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . 0.557 ' HB2' HG12 ' C' ' 40' ' ' VAL . . . . . . . . 0 C--O 1.238 0.455 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.206 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.586 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mp0 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.812 0.815 . . . . 10.0 109.785 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' D' ' 14' ' ' HIS . 29.1 m -78.03 145.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.391 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . 0.625 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 5.8 t60 -97.89 91.56 5.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -85.98 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.166 0.507 . . . . 10.0 111.014 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -119.27 105.84 11.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.43 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -119.23 120.99 38.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 10.0 112.049 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -120.76 109.8 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.703 -0.851 . . . . 10.0 108.703 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 t -125.24 128.08 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.113 0.482 . . . . 10.0 111.971 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.412 ' CE1' HD21 ' E' ' 34' ' ' LEU . 22.7 m-85 -123.41 125.63 45.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.92 106.88 17.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.05 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.96 104.2 11.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -113.44 139.52 48.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.578 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.57 145.63 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.648 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.474 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -142.02 20.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.878 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.76 -50.21 0.01 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 119.687 -1.244 . . . . 10.0 114.429 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.84 125.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.033 0.417 . . . . 10.0 110.98 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.443 HD22 ' C ' ' D' ' 26' ' ' SER . 5.2 m-80 -92.37 149.53 21.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.365 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.778 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 59.4 tttt -132.72 -92.38 0.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.23 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . 173.03 106.81 0.2 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.142 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.626 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.98 166.07 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.684 ' HB ' HD12 ' F' ' 31' ' ' ILE . 0.3 OUTLIER -120.48 90.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -113.88 121.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.015 0.436 . . . . 10.0 111.349 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 120.56 4.52 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.762 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.659 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.8 mp -114.07 100.19 8.2 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.607 ' HG3' ' HB2' ' D' ' 35' ' ' MET . 2.7 mpt? -122.16 100.65 7.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.27 0.557 . . . . 10.0 110.773 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.563 HG12 ' HB ' ' F' ' 36' ' ' VAL . 16.2 m -109.8 139.5 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.93 122.65 4.18 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.708 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.67 1.21 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.68 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 0.542 HG23 ' CG2' ' D' ' 39' ' ' VAL . 13.9 p -107.51 109.8 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.674 . . . . 10.0 110.737 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.235 0.31 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.887 -179.526 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' G' ' 11' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.102 0.477 . . . . 10.0 110.731 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.609 ' HB ' HG12 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -109.54 108.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.561 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -85.84 124.7 32.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.649 0.261 . . . . 10.0 111.225 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -126.0 90.19 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 10.0 110.12 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.474 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 7.1 tt0 -107.44 118.7 37.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.422 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' F' ' 16' ' ' LYS . 19.2 ptmt -131.79 122.23 25.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.529 0.681 . . . . 10.0 111.953 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -116.22 115.35 25.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.111 -0.95 . . . . 10.0 108.875 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.68 ' HB ' HG12 ' G' ' 18' ' ' VAL . 20.4 t -123.44 119.61 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.992 0.425 . . . . 10.0 110.634 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.441 ' HE2' HG21 ' G' ' 32' ' ' ILE . 18.9 m-85 -117.11 126.33 52.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.56 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.82 125.93 49.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.77 84.76 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -108.15 107.57 18.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.926 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.664 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 47.7 m-20 -106.89 124.45 49.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.036 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.454 HG22 ' O ' ' G' ' 23' ' ' ASP . 18.7 m -103.9 -0.9 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.525 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.53 -82.83 1.16 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.382 -0.913 . . . . 10.0 112.388 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -139.97 111.12 7.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -74.11 141.69 45.61 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' G' ' 28' ' ' LYS . 0.3 OUTLIER -122.58 -90.32 0.58 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 166.95 113.27 0.27 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.011 -1.09 . . . . 10.0 112.739 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.458 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -91.54 154.83 18.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.678 -0.489 . . . . 10.0 109.678 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.684 HD12 ' HB ' ' E' ' 31' ' ' ILE . 6.3 tp -100.59 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.621 0.724 . . . . 10.0 109.781 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.458 HG12 HD12 ' G' ' 32' ' ' ILE . 28.1 mt -115.18 123.65 71.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.756 . . . . 10.0 111.243 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.481 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -123.43 116.99 3.07 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.575 -0.61 . . . . 10.0 111.575 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.659 HD23 ' HG ' ' E' ' 34' ' ' LEU . 1.9 mm? -108.41 102.63 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.479 ' HG2' ' CA ' ' N' ' 37' ' ' GLY . 2.0 mpp? -117.37 101.95 8.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 10.0 111.126 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.563 ' HB ' HG12 ' E' ' 36' ' ' VAL . 59.4 t -111.89 124.51 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.831 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' N' ' 35' ' ' MET . . . -123.27 130.92 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.784 -0.722 . . . . 10.0 113.015 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 130.92 6.91 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.923 -0.656 . . . . 10.0 111.885 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.734 ' HB ' HG12 ' G' ' 39' ' ' VAL . 87.7 t -124.86 124.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 7.4 p -148.75 138.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 10.0 111.807 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.59 121.13 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.014 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.011 179.725 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . 0.461 ' C ' HG11 ' H' ' 12' ' ' VAL . 16.1 mm-40 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.194 0.521 . . . . 10.0 110.2 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.609 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.4 m -110.03 131.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -96.92 93.25 6.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.25 98.64 10.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.41 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 1.1 tt0 -106.87 95.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -110.41 117.47 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.8 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.627 HD13 HD23 ' G' ' 34' ' ' LEU . 21.6 mt -123.32 112.42 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.68 HG12 ' HB ' ' F' ' 18' ' ' VAL . 10.7 m -129.06 137.87 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.991 0.737 . . . . 10.0 112.991 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -126.1 128.64 47.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.199 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -109.9 108.42 18.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.518 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.12 121.47 36.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -133.3 129.5 37.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.664 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.1 t70 -101.54 148.66 24.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.723 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' F' ' 24' ' ' VAL . 38.3 t -124.41 -26.95 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 110.775 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -116.75 -64.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.473 -0.87 . . . . 10.0 113.147 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -159.57 116.81 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.903 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 16.7 t-20 -80.39 154.16 27.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 10.0 110.54 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 1.0 OUTLIER -123.58 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.017 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 161.21 119.01 0.5 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.238 -0.982 . . . . 10.0 112.99 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.33 160.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.816 HD12 ' HB ' ' H' ' 31' ' ' ILE . 21.6 mt -97.88 99.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . 0.458 HD12 HG12 ' F' ' 32' ' ' ILE . 65.1 mt -110.32 106.86 21.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.908 0.385 . . . . 10.0 110.45 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.546 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -118.84 112.26 2.29 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.576 -0.821 . . . . 10.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.627 HD23 HD13 ' G' ' 17' ' ' LEU . 8.5 mp -110.4 109.75 20.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.828 0.347 . . . . 10.0 110.278 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.767 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 11.2 mmt -117.21 104.1 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.823 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -115.04 114.53 46.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.497 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.755 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -125.83 126.62 5.9 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.64 -0.791 . . . . 10.0 112.202 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.52 134.15 6.68 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.58 -0.819 . . . . 10.0 112.764 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.734 HG12 ' HB ' ' F' ' 39' ' ' VAL . 32.8 m -121.51 136.88 56.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.76 0.314 . . . . 10.0 110.684 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 2.1 p . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.517 0.198 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.588 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.92 143.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.86 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -63.47 122.44 16.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.61 112.82 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -115.16 126.87 55.12 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.063 0.459 . . . . 10.0 111.335 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -132.94 113.03 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.551 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' G' ' 17' ' ' LEU . 5.0 mp -123.93 111.98 16.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.885 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . 0.441 HG13 HG23 ' G' ' 18' ' ' VAL . 18.0 t -119.83 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.228 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -127.54 132.07 49.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.8 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -110.37 131.98 54.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.19 87.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.867 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 151.85 22.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.769 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.82 155.44 32.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.98 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -134.34 9.88 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.845 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -170.04 -63.4 0.04 OUTLIER Glycine 0 C--N 1.331 0.255 0 C-N-CA 119.87 -1.157 . . . . 10.0 113.666 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -134.05 92.2 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.353 -0.498 . . . . 10.0 111.023 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.903 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 13.7 t-20 -66.03 138.17 57.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.846 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -121.78 -77.1 0.58 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.97 120.21 3.01 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.69 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 172.39 7.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.816 ' HB ' HD12 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -89.48 117.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.147 0.499 . . . . 10.0 111.095 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mt -124.53 109.66 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.946 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.37 122.79 5.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.034 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -112.73 106.95 15.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.705 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.3 mpp? -107.49 104.86 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.857 0.361 . . . . 10.0 110.743 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -105.36 126.09 60.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.251 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.659 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.69 132.93 7.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.341 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.39 134.74 7.33 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.114 -0.565 . . . . 10.0 112.28 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' P' ' 31' ' ' ILE . 2.7 m -131.67 139.2 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.459 0.171 . . . . 10.0 110.714 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.233 0.209 0 N-CA-C 108.561 -0.903 . . . . 10.0 108.561 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -96.21 92.9 6.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.227 0.537 . . . . 10.0 111.665 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -106.4 123.15 47.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.192 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -131.76 124.68 30.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.869 0.366 . . . . 10.0 111.407 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.541 HD13 HD23 ' I' ' 34' ' ' LEU . 25.2 mt -123.13 107.66 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.09 128.66 70.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.96 118.65 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.112 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.33 99.46 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.389 . . . . 10.0 111.341 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.51 129.44 49.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.823 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.816 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 3.8 mm-40 -84.73 173.33 10.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.085 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.494 ' HA ' HD21 ' J' ' 27' ' ' ASN . 39.5 t0 -153.42 90.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.788 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.809 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 47.0 t -123.09 -41.26 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.783 0.325 . . . . 10.0 110.295 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -86.93 -144.77 8.74 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.14 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 26' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 2.0 p -83.49 123.85 30.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.925 0.363 . . . . 10.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -57.75 149.92 21.02 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -150.49 -106.03 0.07 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.771 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.84 121.68 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.667 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.725 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.67 163.42 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.718 0.294 . . . . 10.0 111.353 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD13 ' J' ' 31' ' ' ILE . 41.5 mm -111.71 102.51 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 109.794 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . 0.471 HG22 ' HB ' ' J' ' 32' ' ' ILE . 13.1 pt -115.14 123.11 70.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.544 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.42 93.83 0.79 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.424 -0.67 . . . . 10.0 111.424 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.541 HD23 HD13 ' I' ' 17' ' ' LEU . 6.8 mp -90.19 93.14 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.877 0.37 . . . . 10.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.413 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.3 mpt? -123.02 64.88 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' J' ' 36' ' ' VAL . 32.9 t -85.01 123.56 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.5 114.58 3.29 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.156 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 117.02 1.65 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.77 141.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.909 0.385 . . . . 10.0 111.125 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' J' ' 40' ' ' VAL . 57.5 t . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.516 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.3 m80 . . . . . 0 C--O 1.234 0.258 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -101.25 122.76 44.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.461 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -131.5 121.84 25.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.35 0.595 . . . . 10.0 111.743 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.2 mp -108.61 115.99 31.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.292 -0.867 . . . . 10.0 109.559 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 5.3 t -119.22 117.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.005 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -119.9 121.23 38.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.918 0.389 . . . . 10.0 111.617 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -105.82 126.75 52.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.508 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.63 105.89 6.03 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.816 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.5 mt-10 -88.17 154.99 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.682 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 7.6 m-20 -144.23 60.07 1.35 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.809 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 59.8 t -78.41 -24.76 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 111.087 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.16 -63.85 1.19 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.396 -0.907 . . . . 10.0 111.847 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.412 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 95.0 p -162.15 123.14 2.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.682 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 7.9 m120 -64.01 149.25 47.81 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.899 0.38 . . . . 10.0 110.106 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.656 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 10.9 tptt -144.69 -117.37 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.421 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.725 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -171.89 105.88 0.22 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.173 -1.013 . . . . 10.0 112.636 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -87.18 154.23 20.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.438 0.161 . . . . 10.0 110.574 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.937 HG13 ' HA ' ' B' ' 41' ' ' ILE . 16.6 mm -99.91 102.07 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.471 ' HB ' HG22 ' I' ' 32' ' ' ILE . 23.9 mt -115.96 108.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.604 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.41 113.76 4.76 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.676 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.8 91.6 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.456 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 1.8 mpt? -122.08 81.38 1.82 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.37 0.605 . . . . 10.0 111.049 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.595 HG13 ' HB ' ' K' ' 36' ' ' VAL . 47.2 t -98.57 131.4 45.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.26 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.99 122.29 5.04 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.561 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.77 113.51 1.05 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.827 -0.702 . . . . 10.0 111.799 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' K' ' 39' ' ' VAL . 34.5 m -128.22 144.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.055 0.455 . . . . 10.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' I' ' 40' ' ' VAL . 39.3 t -130.25 141.46 46.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.1 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . 0.918 ' HA ' HG13 ' B' ' 31' ' ' ILE . 7.0 tp -63.11 132.93 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.936 0.398 . . . . 10.0 111.173 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.142 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.381 0.61 . . . . 10.0 110.606 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.01 128.68 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 10.0 112.358 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -84.17 91.46 7.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.151 -0.931 . . . . 10.0 108.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -75.36 109.33 8.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.271 0.558 . . . . 10.0 112.139 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -120.4 98.77 6.21 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -111.18 118.93 37.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.938 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 43.0 mt -119.86 112.22 18.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' L' ' 18' ' ' VAL . 9.1 p -133.51 131.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 15.1 m-85 -121.21 128.63 52.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.754 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -110.1 98.83 8.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.838 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.65 112.66 25.48 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 22.6 mt-10 -105.16 154.47 20.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.209 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.645 ' HB2' HD21 ' L' ' 27' ' ' ASN . 2.7 t70 -147.12 122.68 10.44 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.316 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 5.6 m -136.11 15.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.71 -63.32 0.12 Allowed Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.326 -0.852 . . . . 10.0 112.674 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.4 p -175.94 85.27 0.03 OUTLIER 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.269 -0.271 . . . . 10.0 110.269 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 59.8 t30 -53.44 146.55 12.35 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 31.7 tttt -133.06 -103.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.753 . . . . 10.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -165.21 107.92 0.31 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.356 -1.402 . . . . 10.0 114.13 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -80.6 146.25 31.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.616 ' HB ' HD13 ' L' ' 31' ' ' ILE . 0.4 OUTLIER -106.07 92.0 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.182 0.515 . . . . 10.0 109.983 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.856 HG22 ' HB ' ' L' ' 32' ' ' ILE . 13.1 pt -115.46 131.03 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.346 0.594 . . . . 10.0 112.208 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.43 115.07 2.73 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.534 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.459 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -107.38 102.67 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.879 0.371 . . . . 10.0 110.189 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 35' ' ' MET . . . . . 0.456 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 2.2 mpt? -124.74 91.7 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.273 0.558 . . . . 10.0 110.886 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.595 ' HB ' HG13 ' J' ' 36' ' ' VAL . 49.2 t -98.75 125.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.39 120.69 4.79 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.514 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.72 124.07 3.35 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.076 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' J' ' 39' ' ' VAL . 4.4 p -129.05 120.4 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.354 0.597 . . . . 10.0 111.042 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' L' ' 42' ' ' ALA . 25.7 t . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.726 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.213 0.054 . . . . 10.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 p -112.26 130.23 66.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.843 0.354 . . . . 10.0 110.576 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . 0.489 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 9.5 t-160 -87.58 132.25 34.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.252 0.549 . . . . 10.0 112.283 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -130.38 97.79 4.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.912 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.098 0.475 . . . . 10.0 111.166 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -134.31 114.02 12.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.4 mp -110.7 115.39 29.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.665 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' K' ' 18' ' ' VAL . 8.4 t -123.72 121.4 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.632 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 38.0 m-85 -120.54 124.71 46.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.493 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.38 125.51 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.194 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.49 96.34 4.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -100.62 86.51 3.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.541 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . 0.596 ' HA ' HD21 ' M' ' 27' ' ' ASN . 0.7 OUTLIER -80.22 119.49 23.05 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 80.4 t -120.03 -28.11 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.847 0.356 . . . . 10.0 111.685 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.2 -78.73 1.28 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.324 -0.941 . . . . 10.0 112.825 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -152.47 99.64 2.5 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . 0.645 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -52.88 147.65 8.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 10.0 112.176 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 15.2 tttm -137.98 -79.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.856 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 157.57 117.23 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.058 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -102.95 160.82 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.404 0.145 . . . . 10.0 110.678 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.616 HD13 ' HB ' ' K' ' 31' ' ' ILE . 2.8 mm -103.04 116.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.52 0.512 . . . . 10.0 110.044 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.856 ' HB ' HG22 ' K' ' 32' ' ' ILE . 86.9 mt -131.87 114.22 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.676 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . 0.638 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -109.97 119.43 5.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.488 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.3 mm? -109.3 97.03 6.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 35' ' ' MET . . . . . 0.619 ' HB2' ' HG3' ' M' ' 35' ' ' MET . 1.7 mpt? -117.5 92.45 3.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.297 0.57 . . . . 10.0 110.934 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' K' ' 36' ' ' VAL . 49.3 t -98.63 119.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.613 -0.722 . . . . 10.0 110.024 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -114.94 118.49 4.34 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.242 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.41 128.37 4.84 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' D' ' 33' ' ' GLY . 11.0 m -133.31 146.03 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.602 0.239 . . . . 10.0 110.454 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.451 HG13 HG13 ' K' ' 40' ' ' VAL . 7.1 p -155.67 138.7 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.097 0.475 . . . . 10.0 112.009 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 15.3 mm -74.76 125.37 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.302 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . 0.628 ' HB2' HG12 ' K' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' N' ' 11' ' ' GLU . 8.2 mp0 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.494 0.664 . . . . 10.0 110.049 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.26 144.11 13.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.246 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 3.7 t-160 -103.78 92.88 4.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.15 -1.056 . . . . 10.0 108.15 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.83 114.6 26.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.224 0.535 . . . . 10.0 111.83 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -119.4 102.17 8.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.493 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -112.71 116.98 30.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.064 0.459 . . . . 10.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.401 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 51.1 mt -121.09 111.4 17.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 t -130.08 130.42 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.127 0.489 . . . . 10.0 111.87 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' M' ' 34' ' ' LEU . 19.2 m-85 -124.01 129.08 50.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.775 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -107.82 109.47 21.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.44 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.33 105.66 13.12 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.54 138.43 49.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.528 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.66 147.33 51.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.641 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' N' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 22.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.837 178.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.16 -54.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.122 -1.037 . . . . 10.0 113.412 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -168.87 126.59 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.584 0.23 . . . . 10.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . 0.596 HD21 ' HA ' ' L' ' 23' ' ' ASP . 6.5 m120 -90.95 148.12 22.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.831 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 20.5 tttm -130.5 -95.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.067 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . 176.46 107.95 0.22 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.346 -0.93 . . . . 10.0 112.855 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.599 ' HA ' ' CA ' ' N' ' 29' ' ' GLY . . . -85.03 166.98 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD12 ' N' ' 31' ' ' ILE . 0.3 OUTLIER -121.22 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mt -114.25 122.61 68.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.932 0.396 . . . . 10.0 111.224 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.25 120.21 4.25 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.785 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' N' ' 34' ' ' LEU . 5.9 mp -113.47 101.63 9.54 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.619 ' HG3' ' HB2' ' L' ' 35' ' ' MET . 2.7 mpt? -122.91 103.7 8.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.363 0.601 . . . . 10.0 110.738 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . 0.571 HG12 ' HB ' ' N' ' 36' ' ' VAL . 15.6 m -112.49 140.36 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.71 122.38 3.94 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.66 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.5 1.19 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.653 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' L' ' 39' ' ' VAL . 12.2 p -107.94 109.17 27.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 10.0 110.845 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 24.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.119 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' M' ' 11' ' ' GLU . 3.9 tp10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.171 0.51 . . . . 10.0 110.348 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . 0.701 ' HB ' HG12 ' O' ' 12' ' ' VAL . 3.1 t -104.28 109.87 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -86.66 127.68 34.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.732 0.301 . . . . 10.0 111.448 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.78 91.06 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' O' ' 15' ' ' GLN . 6.5 tt0 -106.46 119.4 39.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.347 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -133.64 121.69 22.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.397 0.618 . . . . 10.0 111.801 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.9 mp -116.0 114.25 24.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.036 -0.984 . . . . 10.0 108.892 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . 0.713 ' HB ' HG12 ' O' ' 18' ' ' VAL . 16.2 t -121.71 115.69 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.644 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' O' ' 32' ' ' ILE . 18.1 m-85 -114.05 128.09 56.23 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.47 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -105.67 130.75 53.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.694 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.66 88.79 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.64 107.17 17.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.094 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . 0.872 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 42.2 m-20 -105.54 118.89 37.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.249 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.753 ' HA ' HG23 ' M' ' 24' ' ' VAL . 33.7 m -101.14 -5.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.0 -78.79 1.12 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.342 -0.933 . . . . 10.0 111.907 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.36 113.98 6.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 3.2 m120 -73.91 144.33 45.39 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' O' ' 28' ' ' LYS . 0.2 OUTLIER -124.98 -96.83 0.44 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.012 -0.275 . . . . 10.0 110.642 178.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' M' ' 30' ' ' ALA . . . 175.96 107.39 0.21 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.258 -0.972 . . . . 10.0 112.965 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . 0.548 ' HA ' ' CA ' ' O' ' 29' ' ' GLY . . . -90.09 153.22 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.725 HD12 ' HB ' ' M' ' 31' ' ' ILE . 5.6 tp -101.26 102.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 10.0 110.401 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.429 HG12 HD12 ' O' ' 32' ' ' ILE . 29.2 mt -117.5 124.59 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.126 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . 0.452 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -125.38 117.52 2.98 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.514 -0.634 . . . . 10.0 111.514 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.649 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -109.06 103.8 12.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.463 ' HG2' ' CA ' ' F' ' 37' ' ' GLY . 2.1 mpp? -117.59 102.88 9.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.097 0.475 . . . . 10.0 111.24 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . 0.571 ' HB ' HG12 ' M' ' 36' ' ' VAL . 54.3 t -112.57 125.47 69.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.978 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' F' ' 35' ' ' MET . . . -124.95 130.82 7.54 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.767 -0.73 . . . . 10.0 113.111 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.18 131.84 7.36 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.899 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' O' ' 39' ' ' VAL . 85.1 t -125.29 123.79 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 7.6 p -150.19 138.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 10.0 111.513 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . 0.417 ' H ' HG13 ' N' ' 41' ' ' ILE . 3.2 mt -72.55 126.79 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.775 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.173 0.511 . . . . 10.0 110.788 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . 0.701 HG12 ' HB ' ' N' ' 12' ' ' VAL . 7.5 m -117.18 132.7 66.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.475 0.655 . . . . 10.0 112.643 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -97.4 95.67 7.83 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . 0.479 ' HB2' ' ND1' ' P' ' 14' ' ' HIS . 23.7 m170 -84.65 99.51 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.177 0.513 . . . . 10.0 112.209 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' HA ' ' N' ' 15' ' ' GLN . 4.1 tp60 -104.91 95.26 5.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -113.16 114.37 26.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 10.0 111.746 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . 0.634 HD13 HD23 ' O' ' 34' ' ' LEU . 20.2 mt -121.98 116.4 24.25 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.713 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.9 m -132.75 137.49 53.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.097 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -111.18 101.99 10.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -108.38 119.44 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -124.26 130.33 52.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . 0.872 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 3.9 t70 -108.15 148.44 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.334 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 14.5 t -130.43 -29.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.348 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -117.36 -64.92 0.33 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.215 -0.993 . . . . 10.0 113.172 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -156.42 112.79 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . 0.88 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 18.9 t-20 -77.0 154.31 33.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 10.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 57.2 tttp -123.63 -89.41 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.051 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . 0.548 ' CA ' ' HA ' ' N' ' 30' ' ' ALA . . . 172.89 110.46 0.24 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.148 -1.025 . . . . 10.0 112.748 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.88 159.14 17.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.621 0.248 . . . . 10.0 110.562 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 0.902 HD12 ' HB ' ' P' ' 31' ' ' ILE . 16.0 mt -97.79 99.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . 0.444 HG21 ' HE2' ' N' ' 19' ' ' PHE . 69.3 mt -110.52 108.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.841 0.353 . . . . 10.0 110.404 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . 0.534 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.03 114.35 2.58 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.214 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . 0.634 HD23 HD13 ' O' ' 17' ' ' LEU . 8.9 mp -112.14 111.17 21.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.129 -0.323 . . . . 10.0 110.129 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.755 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 10.8 mmt -117.74 103.66 10.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.849 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 t -114.21 115.23 49.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.234 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . 0.767 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -126.86 124.66 5.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.54 134.7 7.14 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.305 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.786 HG12 ' HB ' ' N' ' 39' ' ' VAL . 32.1 m -121.93 139.75 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.941 0.401 . . . . 10.0 111.052 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.232 0.158 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 12' ' ' VAL . . . . . 0.593 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -77.22 141.2 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.545 179.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -60.78 120.02 9.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . 0.479 ' ND1' ' HB2' ' O' ' 14' ' ' HIS . 88.9 m-70 -117.91 111.08 18.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -114.93 127.42 55.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 10.0 111.183 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -134.57 115.71 14.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.25 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.84 119.96 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.973 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . 0.439 HG13 HG23 ' O' ' 18' ' ' VAL . 12.1 t -126.36 123.33 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.613 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -125.32 130.45 52.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.882 0.372 . . . . 10.0 110.844 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -108.46 136.68 47.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.998 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -147.7 94.02 2.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.89 152.01 27.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.073 0.463 . . . . 10.0 111.428 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -123.31 155.88 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.602 -0.727 . . . . 10.0 109.838 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.0 OUTLIER -137.81 12.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.674 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -167.0 -67.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.934 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -133.2 97.93 4.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.775 0.322 . . . . 10.0 110.299 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.88 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 9.0 t-20 -68.87 141.82 54.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.716 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -126.76 -75.29 0.58 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.169 0.509 . . . . 10.0 109.872 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.76 128.41 3.98 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.923 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.91 172.24 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.902 ' HB ' HD12 ' O' ' 31' ' ' ILE . 0.0 OUTLIER -91.53 112.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.137 0.494 . . . . 10.0 110.612 179.432 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mt -120.54 109.68 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.42 118.96 4.28 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.86 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.44 108.32 18.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.877 0.37 . . . . 10.0 110.238 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.659 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 3.7 mpp? -108.07 105.54 15.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.806 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -106.11 129.61 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.828 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . 0.705 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -136.19 134.97 7.48 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.694 -0.765 . . . . 10.0 112.472 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.81 136.99 8.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.919 -0.658 . . . . 10.0 111.989 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.528 ' HB ' HD11 ' H' ' 31' ' ' ILE . 2.8 m -130.32 138.81 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.519 0.2 . . . . 10.0 110.843 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.88 160.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 pt -89.06 -175.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.633 0.254 . . . . 10.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.207 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.935 0.397 . . . . 10.0 111.699 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.82 115.54 17.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 24.7 m170 -99.04 94.28 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 10.0 110.729 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' B' ' 15' ' ' GLN . 58.4 tp60 -105.38 123.86 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.714 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -140.04 131.55 27.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 10.0 111.961 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 17' ' ' LEU . 2.1 mt -126.3 104.07 8.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.425 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -115.52 121.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.455 0.645 . . . . 10.0 112.548 -178.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -115.77 114.63 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.316 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.41 114.25 27.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.798 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.5 136.48 51.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.59 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.8 mm-40 -83.41 173.94 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.571 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.67 ' HA ' HD21 ' B' ' 27' ' ' ASN . 36.2 t70 -156.79 77.45 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.074 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.723 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 23.8 t -109.92 -42.16 5.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.966 0.412 . . . . 10.0 110.465 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.61 -154.02 29.7 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.841 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 116.77 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 148.13 38.46 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 9.9 tptm -153.17 -146.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.006 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.42 127.18 2.05 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 119.927 -1.13 . . . . 10.0 113.346 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -81.64 150.42 28.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 10.0 110.727 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG12 ' B' ' 31' ' ' ILE . 21.2 mm -100.81 92.37 2.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.267 0.556 . . . . 10.0 110.025 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.639 HG22 ' HB ' ' B' ' 32' ' ' ILE . 15.7 pt -110.21 130.12 64.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.478 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.55 95.92 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' B' ' 34' ' ' LEU . 6.3 mp -91.79 101.75 14.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.319 . . . . 10.0 110.96 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -126.39 75.89 1.57 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.189 0.519 . . . . 10.0 110.474 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -83.67 114.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.197 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.56 118.66 5.87 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.48 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.06 119.44 1.72 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.542 -1.023 . . . . 10.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.58 130.79 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.562 0.696 . . . . 10.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' B' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.168 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.455 ' HD2' ' HB ' ' C' ' 12' ' ' VAL . 70.7 m-70 . . . . . 0 C--O 1.236 0.394 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' C' ' 15' ' ' GLN . 9.1 tt0 -107.51 125.73 51.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.15 0.5 . . . . 10.0 111.437 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -135.1 123.04 22.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.354 0.597 . . . . 10.0 111.407 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 7.3 mp -110.67 116.18 30.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.153 -0.931 . . . . 10.0 109.154 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.3 t -117.39 122.23 69.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.351 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -122.69 118.22 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.34 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -106.89 115.95 31.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.823 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.17 114.92 20.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 62.7 mt-10 -89.9 158.88 17.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.782 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 5.9 m-20 -147.99 56.83 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.723 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 27.6 t -78.6 -20.37 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.117 0.485 . . . . 10.0 111.266 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.54 -64.26 1.01 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.264 -0.97 . . . . 10.0 111.484 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.422 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 68.9 p -167.29 119.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.67 HD21 ' HA ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -61.36 152.1 30.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.315 0.384 . . . . 10.0 110.175 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.712 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -144.76 -95.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 121.067 -0.253 . . . . 10.0 111.673 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 171.43 95.55 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 119.716 -1.23 . . . . 10.0 113.007 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.63 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -83.4 147.35 27.93 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.759 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -96.72 116.79 39.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.879 0.847 . . . . 10.0 109.817 179.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 32' ' ' ILE . 37.8 mt -129.26 119.33 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.209 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.19 120.6 6.22 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 1.9 mm? -115.02 86.79 2.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.514 ' HG2' ' HA2' ' J' ' 37' ' ' GLY . 2.1 mpt? -116.2 88.69 2.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.395 0.617 . . . . 10.0 111.484 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 t -91.6 135.29 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.292 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.539 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.45 103.19 0.96 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.85 -0.691 . . . . 10.0 112.782 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.17 102.85 1.5 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.506 ' HB ' HG23 ' C' ' 39' ' ' VAL . 3.9 t -111.89 116.75 53.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.567 0.222 . . . . 10.0 110.494 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 40' ' ' VAL . 46.0 t -125.92 132.04 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.586 0.232 . . . . 10.0 110.514 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.54 136.68 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.86 0.362 . . . . 10.0 110.493 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.032 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.671 0.748 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . 0.455 ' HB ' ' HD2' ' B' ' 14' ' ' HIS . 7.3 m -91.11 115.62 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.907 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -75.15 98.41 3.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.482 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . 0.434 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.2 m170 -89.26 104.57 17.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.283 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HB3' ' HG3' ' B' ' 15' ' ' GLN . 5.6 tt0 -114.35 103.18 10.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.305 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -114.22 119.71 37.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.924 0.392 . . . . 10.0 111.87 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.555 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 48.9 mt -120.5 112.71 19.29 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.359 -0.978 . . . . 10.0 108.359 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.689 HG13 HG13 ' D' ' 18' ' ' VAL . 7.1 p -132.24 130.97 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.505 0.669 . . . . 10.0 112.61 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.588 ' HE2' HD11 ' D' ' 32' ' ' ILE . 11.1 m-85 -119.98 127.91 53.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.145 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -108.31 113.01 25.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.696 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.66 113.7 20.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 10.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 51.5 mt-10 -103.33 151.91 22.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.218 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.435 ' HB2' HD21 ' D' ' 27' ' ' ASN . 4.4 t0 -141.03 114.93 9.08 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.362 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.0 7.55 4.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -129.4 -62.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.896 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.2 p -172.75 92.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.721 0.261 . . . . 10.0 110.898 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -55.68 143.94 28.72 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.494 0.496 . . . . 10.0 111.648 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.712 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 32.8 ttmt -128.59 -105.12 0.31 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.63 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -166.45 109.94 0.38 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.245 -0.979 . . . . 10.0 113.129 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.577 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -83.85 164.77 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' D' ' 31' ' ' ILE . 1.7 mt -120.65 88.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.568 HG22 HG12 ' D' ' 32' ' ' ILE . 23.9 pt -115.58 127.24 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.08 0.466 . . . . 10.0 111.853 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.52 115.68 3.0 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.723 -0.751 . . . . 10.0 111.947 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.506 HD23 HD13 ' C' ' 17' ' ' LEU . 6.7 mp -105.96 103.67 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.422 . . . . 10.0 110.482 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.4 mpp? -123.86 89.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.023 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' D' ' 36' ' ' VAL . 40.1 t -98.17 113.16 32.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.01 119.96 5.2 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.669 -0.776 . . . . 10.0 112.891 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.1 120.79 3.01 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' B' ' 39' ' ' VAL . 13.4 p -117.75 119.75 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.494 0.664 . . . . 10.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.678 -179.312 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.384 0.135 . . . . 10.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.51 134.36 25.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.723 0.297 . . . . 10.0 111.033 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 1.0 OUTLIER -84.38 130.86 34.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 71.7 m-70 -132.72 89.99 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.075 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 25.4 pt20 -113.05 137.1 51.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.596 0.712 . . . . 10.0 112.451 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -138.12 119.61 14.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.741 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 mp -112.64 118.15 34.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' E' ' 18' ' ' VAL . 7.6 t -123.84 125.41 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.026 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.77 124.45 47.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.329 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.72 122.97 46.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.086 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.32 105.05 8.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -108.16 79.95 1.31 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.423 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.6 OUTLIER -75.53 114.81 14.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.63 -19.97 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.137 0.494 . . . . 10.0 111.209 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -95.53 -83.03 1.63 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.437 -0.887 . . . . 10.0 112.615 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . 0.435 ' C ' HD22 ' E' ' 27' ' ' ASN . 41.9 m -144.16 100.14 3.5 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.435 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.8 OUTLIER -52.21 148.94 5.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.291 -178.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.863 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 58.8 tttm -138.82 -81.46 0.31 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.649 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.577 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 149.97 113.99 0.67 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.921 -1.133 . . . . 10.0 113.724 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.715 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -82.47 158.49 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.795 HG12 ' HB ' ' C' ' 31' ' ' ILE . 0.1 OUTLIER -116.57 103.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 122.128 0.966 . . . . 10.0 110.119 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.588 HD11 ' HE2' ' C' ' 19' ' ' PHE . 45.7 pt -129.92 147.13 33.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.687 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' L' ' 39' ' ' VAL . . . -125.43 125.63 5.67 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.335 -0.848 . . . . 10.0 111.832 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -105.88 95.6 5.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.599 ' HG2' ' HA2' ' L' ' 37' ' ' GLY . 2.7 mpt? -116.39 104.45 11.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.172 0.51 . . . . 10.0 111.489 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' C' ' 36' ' ' VAL . 26.9 t -106.51 128.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.276 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.544 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -119.1 115.68 3.13 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.713 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.25 125.77 6.18 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.11 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' E' ' 39' ' ' VAL . 58.8 t -128.8 125.35 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -146.56 136.21 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.949 0.405 . . . . 10.0 111.928 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.414 ' HB ' HG21 ' L' ' 31' ' ' ILE . 0.0 OUTLIER -83.89 135.42 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.413 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.246 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.66 ' HG3' ' HG2' ' F' ' 11' ' ' GLU . 1.7 mp0 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.53 0.681 . . . . 10.0 110.542 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -74.73 141.6 15.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.121 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 3.4 t60 -95.9 88.81 5.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.289 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -81.75 115.27 20.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.747 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 45.3 tt0 -132.0 106.34 7.97 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.967 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -126.91 126.89 44.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.085 0.469 . . . . 10.0 111.915 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.691 HD22 HD23 ' E' ' 34' ' ' LEU . 4.2 mp -125.45 118.76 26.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -128.83 128.67 67.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.137 0.494 . . . . 10.0 112.075 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.47 124.57 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.316 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -106.28 114.12 28.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.001 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 106.48 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -110.88 132.74 53.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.283 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.68 145.13 48.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.756 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -138.32 5.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.064 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' F' ' 25' ' ' GLY . . . -137.86 -64.05 0.05 OUTLIER Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.014 -1.088 . . . . 10.0 113.777 -177.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -157.76 130.53 7.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.435 HD22 ' C ' ' D' ' 26' ' ' SER . 5.3 m-80 -91.76 149.4 21.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.964 0.412 . . . . 10.0 111.45 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.863 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 58.0 mttt -130.2 -105.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.286 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -170.93 109.35 0.31 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.037 -1.078 . . . . 10.0 113.05 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.508 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -81.55 150.09 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' F' ' 31' ' ' ILE . 1.1 mt -110.87 94.55 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB ' ' F' ' 32' ' ' ILE . 21.3 mt -120.2 127.15 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.957 0.408 . . . . 10.0 111.107 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.39 113.85 2.81 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.047 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.691 HD23 HD22 ' E' ' 17' ' ' LEU . 7.0 mp -102.61 102.79 13.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.778 ' HG3' ' HG3' ' F' ' 35' ' ' MET . 0.0 OUTLIER -126.12 91.02 3.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.496 0.665 . . . . 10.0 111.152 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.543 HG12 ' HB ' ' F' ' 36' ' ' VAL . 4.0 m -106.01 130.48 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.084 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' SD ' ' M' ' 35' ' ' MET . . . -131.1 136.87 9.07 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.307 -0.949 . . . . 10.0 113.035 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.06 126.6 3.58 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.99 -0.624 . . . . 10.0 111.647 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 0.456 HG23 ' HB ' ' D' ' 39' ' ' VAL . 11.7 p -120.13 117.28 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.413 0.625 . . . . 10.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' F' ' 42' ' ' ALA . 22.1 t . . . . . 0 C--O 1.236 0.393 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.564 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.66 ' HG2' ' HG3' ' E' ' 11' ' ' GLU . 3.7 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.013 0.435 . . . . 10.0 110.155 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.907 ' HB ' HG12 ' G' ' 12' ' ' VAL . 14.2 t -92.29 103.49 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -77.04 127.23 32.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.82 0.343 . . . . 10.0 111.443 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -125.86 89.5 3.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.758 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.41 116.14 31.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.99 0.424 . . . . 10.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -132.24 121.17 23.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.267 0.556 . . . . 10.0 111.997 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.41 116.18 27.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.208 -0.905 . . . . 10.0 109.22 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.857 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.9 t -121.15 120.87 63.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.818 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -120.85 123.25 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.37 131.13 52.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.29 90.15 2.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 10.0 109.838 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.63 105.99 15.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.909 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 16.8 m-20 -106.79 117.3 33.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.709 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' G' ' 24' ' ' VAL . 27.8 m -100.88 15.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 10.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' E' ' 25' ' ' GLY . . . -122.57 -87.43 0.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.318 -0.713 . . . . 10.0 111.318 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -144.16 100.05 3.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 1.2 m120 -62.66 128.47 36.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.789 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.59 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 0.3 OUTLIER -109.7 -61.71 1.6 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 133.04 120.73 2.15 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.356 -0.926 . . . . 10.0 113.043 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -95.39 165.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.604 HG12 HG13 ' N' ' 39' ' ' VAL . 8.7 tt -112.84 112.27 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.648 0.737 . . . . 10.0 111.249 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.615 ' HB ' HG23 ' E' ' 32' ' ' ILE . 19.4 mt -119.86 126.82 75.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.307 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.99 2.67 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.782 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -101.37 98.19 8.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.811 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 2.1 mpt? -117.41 93.41 4.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.907 0.384 . . . . 10.0 110.836 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.543 ' HB ' HG12 ' E' ' 36' ' ' VAL . 44.3 t -110.65 130.11 64.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.743 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -132.44 135.07 7.91 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.61 -0.805 . . . . 10.0 113.057 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.45 132.4 6.76 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.013 -0.613 . . . . 10.0 112.06 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.591 ' HB ' HG12 ' G' ' 39' ' ' VAL . 40.2 t -123.48 131.03 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.3 p -153.06 132.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 10.0 111.869 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . 0.421 HG23 HG12 ' O' ' 31' ' ' ILE . 7.5 pt -72.57 139.42 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.715 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.55 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . 0.406 ' C ' HG11 ' H' ' 12' ' ' VAL . 14.7 mm-40 . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.027 0.441 . . . . 10.0 110.264 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.907 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.6 m -116.93 134.7 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.458 0.647 . . . . 10.0 112.532 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -96.27 93.21 6.76 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -84.77 104.74 15.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.131 0.491 . . . . 10.0 111.508 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -113.22 94.19 4.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -111.33 117.87 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.623 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 mt -120.88 116.4 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.9 m -129.31 131.83 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.05 123.6 38.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.402 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -105.32 114.92 29.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.02 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -118.15 126.59 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.024 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -130.11 140.47 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.125 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.456 ' O ' HG22 ' F' ' 24' ' ' VAL . 6.4 t70 -130.42 132.26 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' F' ' 24' ' ' VAL . 26.7 t -120.2 1.4 7.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.352 0.596 . . . . 10.0 109.98 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.44 -69.39 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.044 -1.074 . . . . 10.0 113.327 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -153.78 103.18 2.58 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.468 -0.431 . . . . 10.0 110.939 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.756 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 19.7 t-20 -58.53 142.28 49.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -123.31 -59.68 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.095 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 123.64 123.54 2.82 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.99 -1.1 . . . . 10.0 112.775 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -102.01 172.17 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.622 0.249 . . . . 10.0 110.854 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.455 HG12 HG23 ' N' ' 41' ' ' ILE . 16.3 mt -103.72 101.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 108.573 -0.899 . . . . 10.0 108.573 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mt -113.11 112.63 41.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.762 0.315 . . . . 10.0 110.442 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -117.02 123.5 5.82 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.461 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -121.94 104.65 9.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.694 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 0.0 OUTLIER -121.62 106.45 11.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.47 0.653 . . . . 10.0 111.047 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' H' ' 36' ' ' VAL . 45.8 t -114.38 124.44 71.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.09 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.917 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -132.69 123.62 3.57 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.27 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.26 135.2 7.32 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.55 -0.833 . . . . 10.0 112.468 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.591 HG12 ' HB ' ' F' ' 39' ' ' VAL . 14.9 m -119.11 138.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.852 0.358 . . . . 10.0 110.56 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.064 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.15 138.33 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.757 0.313 . . . . 10.0 110.925 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.42 125.21 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -118.77 108.0 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.873 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -111.61 130.62 55.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.383 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -137.99 111.26 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.422 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.426 HD23 ' HG ' ' H' ' 34' ' ' LEU . 7.3 mp -117.7 116.31 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.08 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -122.86 128.24 75.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.369 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -130.93 137.44 49.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.529 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -116.06 112.19 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 10.0 111.935 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -118.07 82.47 1.84 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -102.93 154.73 18.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.013 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -140.81 149.29 41.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.901 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -130.91 10.06 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.776 0.322 . . . . 10.0 110.59 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.96 -56.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.417 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -156.81 102.75 2.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.749 0.275 . . . . 10.0 110.62 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.756 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 27.4 t-20 -53.86 135.72 41.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.755 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 32.5 tttp -116.42 -158.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.756 0.312 . . . . 10.0 110.708 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.755 ' H ' ' HG2' ' H' ' 28' ' ' LYS . . . -135.13 98.61 0.3 Allowed Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 121.14 -0.552 . . . . 10.0 111.897 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.41 156.51 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.94 116.17 46.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 10.0 111.108 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 38.3 mt -127.47 121.75 57.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.876 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.16 123.94 4.58 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.404 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' H' ' 17' ' ' LEU . 2.7 mm? -113.19 102.44 10.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.398 . . . . 10.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.625 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 1.7 mpt? -105.54 104.46 14.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.144 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' G' ' 36' ' ' VAL . 48.8 t -109.18 127.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.95 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' P' ' 35' ' ' MET . . . -137.0 151.35 20.96 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.493 -0.861 . . . . 10.0 112.953 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.38 132.79 2.96 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.891 -0.484 . . . . 10.0 111.891 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.533 HG11 ' HA3' ' P' ' 33' ' ' GLY . 34.8 m -125.05 129.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 10.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 13.7 p . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 120.581 0.229 . . . . 10.0 110.698 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 108.137 -1.06 . . . . 10.0 108.137 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . 0.449 ' HB2' ' ND1' ' J' ' 14' ' ' HIS . 52.1 m170 -90.11 79.17 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.087 0.47 . . . . 10.0 112.027 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.471 ' OE1' ' HB3' ' J' ' 15' ' ' GLN . 61.9 tp60 -87.7 122.92 31.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.414 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -136.9 130.38 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.977 0.418 . . . . 10.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' J' ' 17' ' ' LEU . 8.0 mt -125.44 106.75 10.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.42 HG23 HG13 ' J' ' 18' ' ' VAL . 0.8 OUTLIER -117.98 120.35 64.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -178.666 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.91 117.95 32.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.596 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -112.78 113.46 25.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.949 0.404 . . . . 10.0 111.002 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.01 134.9 54.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.688 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 2.4 mt-10 -85.84 176.36 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.91 0.386 . . . . 10.0 110.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . 0.621 ' HA ' HD21 ' J' ' 27' ' ' ASN . 32.0 t70 -156.02 78.14 0.96 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.61 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.786 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.0 t -109.33 -40.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.864 0.364 . . . . 10.0 110.442 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -92.05 -147.68 21.06 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.082 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.95 116.06 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.96 150.08 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.376 0.51 . . . . 10.0 112.376 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -164.95 -167.91 1.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.457 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.52 132.74 6.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.678 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.756 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.37 147.75 26.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.703 0.287 . . . . 10.0 110.383 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.507 ' HB ' HG12 ' J' ' 31' ' ' ILE . 27.2 mm -96.82 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.17 0.509 . . . . 10.0 110.121 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . 0.578 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.5 pt -110.53 131.98 60.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.429 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 100.08 0.83 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.174 -0.77 . . . . 10.0 111.174 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.494 HD23 HD13 ' I' ' 17' ' ' LEU . 6.0 mp -96.3 99.17 10.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 10.0 111.101 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -124.05 79.26 1.71 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.194 0.521 . . . . 10.0 110.471 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' J' ' 36' ' ' VAL . 40.1 t -86.59 114.89 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.889 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.53 111.13 3.35 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.362 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.23 112.98 1.36 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.751 -0.94 . . . . 10.0 110.751 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.98 131.17 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.46 0.647 . . . . 10.0 111.983 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' J' ' 40' ' ' VAL . 59.5 t . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.294 -0.866 . . . . 10.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . 0.449 ' ND1' ' HB2' ' I' ' 14' ' ' HIS . 64.5 m-70 . . . . . 0 C--O 1.234 0.276 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.471 ' HB3' ' OE1' ' I' ' 15' ' ' GLN . 9.1 tt0 -103.35 123.89 47.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 10.0 111.71 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -129.54 123.6 31.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.505 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.3 mp -112.76 117.26 31.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.293 179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.0 t -119.03 122.97 70.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.4 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -123.05 116.79 24.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.901 0.382 . . . . 10.0 111.25 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.98 114.09 28.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.052 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.2 115.36 21.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' HG3' ' I' ' 22' ' ' GLU . 58.4 mt-10 -95.71 156.08 16.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.586 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.0 m-20 -143.91 59.07 1.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.786 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 41.4 t -77.36 -21.89 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 10.0 111.183 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.68 -63.28 1.11 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.151 -1.023 . . . . 10.0 111.223 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.7 p -169.17 124.16 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.621 HD21 ' HA ' ' I' ' 23' ' ' ASP . 0.8 OUTLIER -64.62 154.17 37.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.37 0.419 . . . . 10.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 8.5 tptt -145.82 -91.18 0.1 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.133 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.756 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.47 93.19 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 119.915 -1.136 . . . . 10.0 112.862 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.685 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -81.41 148.58 29.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' K' ' 31' ' ' ILE . 0.4 OUTLIER -97.69 117.16 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.723 0.773 . . . . 10.0 109.774 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.578 ' HB ' HG22 ' I' ' 32' ' ' ILE . 35.2 mt -129.19 119.83 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.865 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -108.45 118.72 5.45 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' I' ' 34' ' ' LEU . 1.8 mm? -112.92 88.22 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.539 ' HG2' ' HA2' ' B' ' 37' ' ' GLY . 2.2 mpt? -116.14 88.64 2.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.448 0.642 . . . . 10.0 111.275 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.4 ' HB ' HG13 ' I' ' 36' ' ' VAL . 40.5 t -92.62 133.04 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.572 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . 0.514 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.48 105.17 1.18 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.768 -0.73 . . . . 10.0 112.575 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.46 105.74 1.78 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.082 -0.807 . . . . 10.0 111.082 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.451 HG12 HG23 ' B' ' 31' ' ' ILE . 2.6 t -113.15 116.23 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.748 0.309 . . . . 10.0 110.708 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.524 ' HB ' HG22 ' I' ' 40' ' ' VAL . 46.4 t -125.37 128.58 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.622 0.248 . . . . 10.0 110.534 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' B' ' 31' ' ' ILE . 8.1 tp -66.85 127.76 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.159 0.504 . . . . 10.0 111.437 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.408 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.593 0.711 . . . . 10.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . 0.437 ' HB ' ' HD2' ' J' ' 14' ' ' HIS . 14.4 m -92.35 119.61 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.961 -1.018 . . . . 10.0 111.672 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.07 93.94 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.343 -0.844 . . . . 10.0 108.999 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . 0.52 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 0.2 OUTLIER -85.88 96.04 9.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.143 0.497 . . . . 10.0 111.333 -179.684 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -104.9 106.64 17.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.116 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 88.5 tttt -117.18 122.54 44.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.038 0.447 . . . . 10.0 112.189 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 41.8 mt -122.38 113.89 20.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . 0.699 HG13 HG13 ' L' ' 18' ' ' VAL . 7.6 p -133.37 132.32 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.504 0.669 . . . . 10.0 112.563 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . 0.513 ' HE2' HD11 ' L' ' 32' ' ' ILE . 10.9 m-85 -121.17 128.27 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.23 107.22 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.27 32.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 28.2 mt-10 -110.53 149.26 30.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.043 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' J' ' 24' ' ' VAL . 4.2 t0 -137.14 116.91 13.07 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.405 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.98 15.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.27 -58.78 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.47 -0.871 . . . . 10.0 112.781 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.09 95.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.405 0.282 . . . . 10.0 110.671 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.55 149.62 25.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.973 0.416 . . . . 10.0 111.632 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.725 ' HD2' ' HA ' ' L' ' 28' ' ' LYS . 31.1 ttmt -133.51 -111.5 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.169 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -160.91 106.95 0.3 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.081 -1.057 . . . . 10.0 113.203 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . 0.593 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.3 162.12 22.38 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.757 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.0 OUTLIER -117.83 87.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 179.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.533 HG22 HG12 ' L' ' 32' ' ' ILE . 25.9 pt -113.71 126.16 71.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 10.0 111.789 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.83 117.3 3.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 10.0 112.045 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.498 HD23 HD13 ' K' ' 17' ' ' LEU . 6.6 mp -108.64 102.23 11.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.82 0.343 . . . . 10.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 35' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.5 mpp? -121.82 87.98 2.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.323 0.582 . . . . 10.0 111.144 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' L' ' 36' ' ' VAL . 41.7 t -96.33 114.96 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.499 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.01 124.26 6.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.466 -0.873 . . . . 10.0 113.004 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.62 123.46 3.36 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.113 -0.565 . . . . 10.0 111.784 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' C' ' 31' ' ' ILE . 8.2 p -119.16 119.35 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.387 0.613 . . . . 10.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.618 -179.624 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' M' ' 11' ' ' GLU . 6.2 tp10 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.409 0.147 . . . . 10.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 p -156.58 140.73 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.58 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . 0.561 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 1.4 t60 -81.43 131.67 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.265 0.555 . . . . 10.0 111.989 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . 0.52 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 40.2 m-70 -132.61 86.99 2.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.598 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 19.9 pt20 -110.8 135.31 51.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.499 0.666 . . . . 10.0 112.554 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 38.8 ttpt -136.99 120.12 16.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.43 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.54 120.54 41.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.848 -0.614 . . . . 10.0 109.404 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.808 ' HB ' HG12 ' M' ' 18' ' ' VAL . 10.5 t -125.27 126.24 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.15 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 33.6 m-85 -119.79 125.64 49.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.181 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -106.65 121.93 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 101.06 6.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.55 80.85 1.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.51 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -77.05 112.72 14.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.981 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.04 -24.55 3.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.774 0.321 . . . . 10.0 110.888 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -90.96 -79.21 1.38 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.688 -0.768 . . . . 10.0 113.041 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 26' ' ' SER . . . . . 0.468 ' C ' HD22 ' M' ' 27' ' ' ASN . 58.9 m -153.66 101.33 2.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 110.594 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -51.29 149.07 4.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.995 -1.002 . . . . 10.0 113.282 -178.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 44.6 tttm -137.24 -86.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.289 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . 0.593 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 159.2 113.6 0.35 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.401 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -88.54 156.04 19.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' K' ' 31' ' ' ILE . 4.6 tp -112.13 102.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.562 0.696 . . . . 10.0 110.435 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.533 HG12 HG22 ' K' ' 32' ' ' ILE . 41.7 pt -128.99 142.45 44.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.436 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.21 124.24 5.41 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.958 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' K' ' 34' ' ' LEU . 2.5 mm? -104.41 90.67 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 35' ' ' MET . . . . . 0.544 ' HG2' ' HA2' ' D' ' 37' ' ' GLY . 3.2 mpp? -111.3 106.59 15.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 111.604 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.525 ' HB ' HG13 ' K' ' 36' ' ' VAL . 24.3 t -107.93 130.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.63 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.599 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -118.61 109.48 1.76 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.696 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.36 120.83 5.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.035 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . 0.445 HG22 ' HA3' ' D' ' 33' ' ' GLY . 42.5 t -125.44 119.61 55.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.67 134.73 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 10.0 112.272 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.92 136.92 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.388 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.371 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' L' ' 11' ' ' GLU . 2.0 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.274 0.559 . . . . 10.0 110.477 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -72.24 148.2 9.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.399 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . 0.561 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 4.3 t60 -98.32 91.2 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.338 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.34 110.68 18.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.197 0.522 . . . . 10.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 47.0 tt0 -127.43 108.5 10.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.551 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -129.46 125.86 37.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.035 0.445 . . . . 10.0 111.391 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.709 HD22 HD23 ' M' ' 34' ' ' LEU . 4.3 mp -125.34 118.07 25.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.914 -0.773 . . . . 10.0 108.914 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.808 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.3 m -127.45 128.05 69.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.336 0.589 . . . . 10.0 112.106 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.56 121.17 37.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.652 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -102.32 119.04 38.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.689 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.41 102.88 7.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.467 . . . . 10.0 109.749 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -106.65 136.85 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.292 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.59 143.19 50.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.053 0.454 . . . . 10.0 111.08 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.95 4.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.503 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -129.78 -79.83 0.23 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.461 -0.876 . . . . 10.0 113.236 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 124.95 12.6 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . 0.468 HD22 ' C ' ' L' ' 26' ' ' SER . 4.7 m-80 -82.94 148.57 27.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.058 0.456 . . . . 10.0 111.557 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.921 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 65.2 mttt -132.29 -102.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.376 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . 0.528 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 179.37 114.41 0.42 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.938 -1.125 . . . . 10.0 113.024 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.482 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -85.09 156.32 21.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' N' ' 31' ' ' ILE . 1.2 mt -113.24 92.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.531 HG23 ' HB ' ' N' ' 32' ' ' ILE . 20.8 mt -118.2 125.38 74.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.02 110.5 2.1 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.984 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.709 HD23 HD22 ' M' ' 17' ' ' LEU . 7.0 mp -97.98 105.99 18.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' N' ' 35' ' ' MET . 0.0 OUTLIER -127.94 87.85 2.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.56 0.695 . . . . 10.0 111.124 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' N' ' 36' ' ' VAL . 3.6 m -105.02 129.7 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.249 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . 0.582 ' HA3' ' SD ' ' E' ' 35' ' ' MET . . . -130.71 145.43 16.81 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.921 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.21 124.12 1.97 Allowed Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 121.123 -0.56 . . . . 10.0 111.932 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -116.32 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.355 0.597 . . . . 10.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.854 -179.44 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' O' ' 11' ' ' GLU . 1.3 tp10 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.186 0.517 . . . . 10.0 109.896 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . 0.822 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -89.17 111.09 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -84.07 126.68 33.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.657 0.265 . . . . 10.0 111.176 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -124.67 94.17 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -112.34 113.05 25.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 10.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -129.23 117.93 21.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.338 0.589 . . . . 10.0 112.027 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.52 115.61 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.072 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' O' ' 18' ' ' VAL . 6.7 t -121.19 118.65 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.981 0.419 . . . . 10.0 110.706 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -117.87 125.8 51.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.64 125.84 51.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.554 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 89.6 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.91 110.0 20.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.816 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 29.9 m-20 -112.52 119.48 38.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 10.0 110.868 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' O' ' 24' ' ' VAL . 18.3 m -101.07 3.29 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . 0.521 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -108.18 -84.53 1.64 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.558 -0.829 . . . . 10.0 111.782 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 84.5 p -149.31 101.85 3.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . 0.48 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 1.5 m120 -60.65 138.82 58.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.261 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' O' ' 27' ' ' ASN . 0.3 OUTLIER -121.25 -67.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 138.66 119.93 1.77 Allowed Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.031 -1.081 . . . . 10.0 113.192 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . 0.467 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' M' ' 31' ' ' ILE . 9.8 tt -113.42 112.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.562 0.696 . . . . 10.0 111.299 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.531 ' HB ' HG23 ' M' ' 32' ' ' ILE . 23.2 mt -120.65 125.53 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.471 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.14 116.82 4.21 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.269 -0.732 . . . . 10.0 111.269 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' M' ' 34' ' ' LEU . 2.6 mm? -105.58 94.97 5.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' M' ' 35' ' ' MET . 2.5 mpt? -115.11 92.21 3.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.119 0.485 . . . . 10.0 111.117 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' M' ' 36' ' ' VAL . 44.2 t -112.75 125.36 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.811 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -130.02 139.98 11.38 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.923 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.55 137.58 9.45 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 10.0 111.936 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . 0.726 ' HB ' HG12 ' O' ' 39' ' ' VAL . 44.3 t -127.04 129.78 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.6 p -150.18 129.5 3.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.061 0.458 . . . . 10.0 111.982 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . 0.455 HG23 HG12 ' G' ' 31' ' ' ILE . 6.5 pt -68.66 138.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.016 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.268 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' N' ' 11' ' ' GLU . 18.3 mm-40 . . . . . 0 C--O 1.235 0.308 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . 0.822 HG12 ' HB ' ' N' ' 12' ' ' VAL . 17.3 m -113.82 131.53 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -96.49 99.15 10.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -89.47 106.49 18.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.747 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -115.07 94.47 4.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' O' ' 16' ' ' LYS . 4.8 tmmm? -112.52 117.99 33.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.514 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.57 118.1 29.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.128 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' N' ' 18' ' ' VAL . 3.1 m -130.63 133.19 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.477 0.656 . . . . 10.0 112.699 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.04 120.88 30.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.778 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -102.99 112.08 24.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.01 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -123.13 123.62 41.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.08 134.45 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.639 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . 0.419 ' O ' HG22 ' N' ' 24' ' ' VAL . 5.4 t70 -113.69 140.62 48.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.556 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.547 ' HA ' HG22 ' N' ' 24' ' ' VAL . 92.4 t -120.86 -8.02 10.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 10.0 109.599 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -122.62 -69.76 0.24 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.291 -0.957 . . . . 10.0 113.537 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 59.4 m -156.7 104.78 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.519 0.2 . . . . 10.0 111.011 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . 0.85 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.5 t-20 -57.84 143.84 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' P' ' 28' ' ' LYS . 54.6 tttp -124.83 -62.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.379 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 124.05 122.64 2.71 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.401 -0.904 . . . . 10.0 113.016 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' CA ' ' P' ' 29' ' ' GLY . . . -98.17 174.91 6.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.361 0.264 . . . . 10.0 110.761 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' P' ' 31' ' ' ILE . 15.2 mt -109.75 100.31 10.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 19.5 mt -112.33 117.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.52 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.37 121.04 4.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.024 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.91 104.66 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.917 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 4.3 mpp? -117.51 105.98 12.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.625 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' N' ' 36' ' ' VAL . 48.2 t -116.73 121.12 67.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . 0.694 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -131.45 118.23 2.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.18 137.35 9.3 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.6 -0.81 . . . . 10.0 112.583 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.726 HG12 ' HB ' ' N' ' 39' ' ' VAL . 33.0 m -122.6 136.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 10.0 110.63 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.966 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.238 0.466 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 12' ' ' VAL . . . . . 0.516 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -60.22 136.96 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.225 0.328 . . . . 10.0 110.791 179.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -62.56 128.18 34.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -120.86 113.94 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.056 -0.974 . . . . 10.0 108.857 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -117.82 125.85 51.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.244 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -132.73 112.38 11.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.359 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.52 HD23 ' HG ' ' P' ' 34' ' ' LEU . 7.2 mp -118.76 112.2 19.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.03 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -119.82 120.13 62.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.466 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.92 143.69 50.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.675 0.274 . . . . 10.0 110.898 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.52 126.13 48.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.501 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -131.88 84.29 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.359 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.47 165.11 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.727 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -150.75 147.36 27.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.117 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.1 t -128.16 2.78 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.778 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . 0.556 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -136.7 -56.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.436 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 62.4 m -157.83 107.46 2.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.777 0.323 . . . . 10.0 110.19 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.85 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 28.4 t-20 -54.68 139.5 38.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.853 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' P' ' 29' ' ' GLY . 30.9 tttp -119.95 -153.87 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . 0.56 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . -146.65 113.22 0.65 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.408 -0.677 . . . . 10.0 111.408 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 170.17 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.664 0.269 . . . . 10.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.458 HD13 ' HB ' ' O' ' 31' ' ' ILE . 1.7 mm -99.58 114.57 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.461 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.1 mt -129.11 110.4 20.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . 0.533 ' HA3' HG11 ' H' ' 39' ' ' VAL . . . -123.81 121.21 4.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.613 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' P' ' 17' ' ' LEU . 2.7 mm? -110.88 106.42 15.55 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mtm -113.24 108.98 18.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.378 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.59 128.55 71.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.442 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . 0.625 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -129.51 142.88 14.04 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.261 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.28 131.64 4.63 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.481 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.18 133.57 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.434 0.159 . . . . 10.0 111.259 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 8.7 p -173.85 162.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.333 -0.247 . . . . 10.0 110.333 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 pt -93.43 176.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.631 0.253 . . . . 10.0 110.477 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.455 -0.783 . . . . 10.0 110.552 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.781 0.324 . . . . 10.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 4.2 t60 -68.5 102.63 1.49 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.148 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.439 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 59.7 m170 -92.36 88.5 6.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.249 0.547 . . . . 10.0 111.28 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 6.6 tt0 -106.8 120.34 41.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.606 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -130.78 126.11 35.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 111.765 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -113.71 117.15 30.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.269 -1.011 . . . . 10.0 108.269 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -129.43 125.21 61.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -116.33 121.18 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.455 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -114.26 99.23 7.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.445 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.08 136.52 40.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.735 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.4 mm-40 -85.59 177.45 7.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.293 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' B' ' 27' ' ' ASN . 29.7 t70 -157.91 87.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.865 0.364 . . . . 10.0 111.321 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.794 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 26.0 t -122.56 -38.99 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.062 0.458 . . . . 10.0 110.307 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -93.07 -153.31 30.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 10.0 111.976 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.49 115.77 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 141.8 44.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 7.8 tttt -164.5 176.48 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.4 147.92 16.71 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.119 -1.039 . . . . 10.0 113.106 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.49 161.77 16.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.968 0.413 . . . . 10.0 110.848 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' B' ' 31' ' ' ILE . 12.7 mm -105.2 82.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 10.0 109.41 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.568 HG22 ' HB ' ' B' ' 32' ' ' ILE . 16.5 pt -103.09 133.05 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.358 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.16 99.89 0.86 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.14 97.83 11.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.606 0.241 . . . . 10.0 110.58 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.45 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.4 mpt? -129.47 74.26 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.282 0.563 . . . . 10.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' B' ' 36' ' ' VAL . 24.7 t -90.92 134.61 29.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.28 125.93 6.36 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.498 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.08 112.59 0.94 Allowed Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.426 -1.069 . . . . 10.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.44 123.48 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.452 0.644 . . . . 10.0 111.922 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' B' ' 40' ' ' VAL . 54.5 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.911 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.439 ' ND1' ' HB2' ' A' ' 14' ' ' HIS . 27.7 m-70 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.1 tt0 -117.91 127.6 54.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.972 0.415 . . . . 10.0 111.407 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -131.93 125.18 31.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . 0.483 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 8.6 mp -112.67 111.6 22.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.708 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.8 t -116.17 121.69 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.01 113.17 18.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.666 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.2 122.22 42.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.84 113.68 13.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.742 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 32.6 mt-10 -87.51 159.26 18.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.948 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.6 m-20 -147.0 51.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.794 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 76.9 t -73.7 -26.49 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.432 . . . . 10.0 111.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.57 -65.18 1.36 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.197 -1.001 . . . . 10.0 111.82 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.522 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 p -167.27 120.64 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.527 HD21 ' HA ' ' A' ' 23' ' ' ASP . 1.2 m120 -62.57 146.74 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.353 0.408 . . . . 10.0 110.055 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.719 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 22.6 tptt -139.29 -75.71 0.36 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.189 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.686 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 145.25 98.75 0.25 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.714 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -84.73 153.82 22.82 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -98.97 117.12 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.615 0.722 . . . . 10.0 109.73 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.568 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.0 mt -131.66 115.91 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.746 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' J' ' 39' ' ' VAL . . . -105.1 120.07 6.41 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.278 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.37 91.42 3.64 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.473 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 2.5 mpt? -121.65 85.72 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.314 0.578 . . . . 10.0 111.357 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 36' ' ' VAL . 35.3 t -95.22 132.92 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.432 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -117.33 106.98 1.48 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.369 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 105.17 2.02 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.618 -0.993 . . . . 10.0 110.618 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 2.4 t -113.96 119.93 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.654 0.264 . . . . 10.0 110.928 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' A' ' 40' ' ' VAL . 49.1 t -129.48 129.71 67.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.701 ' HA ' HG13 ' J' ' 31' ' ' ILE . 0.5 OUTLIER -64.61 142.01 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 10.0 110.752 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . 0.434 ' H ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.009 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.701 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.342 0.591 . . . . 10.0 111.191 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 27.2 m -89.82 127.5 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.688 . . . . 10.0 112.15 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -83.48 97.46 9.01 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . 0.414 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 1.7 m-70 -84.71 107.26 16.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.183 0.516 . . . . 10.0 111.884 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.42 102.88 9.26 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -114.95 121.06 41.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 10.0 111.957 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . 0.483 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 49.4 mt -119.53 114.47 22.31 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' D' ' 18' ' ' VAL . 6.6 p -136.04 131.14 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.465 0.65 . . . . 10.0 112.543 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.455 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 11.3 m-85 -118.53 132.7 56.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.898 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -112.46 102.37 10.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.456 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.06 118.36 33.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.377 . . . . 10.0 110.082 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 35.1 mt-10 -107.52 159.21 16.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.69 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.1 t70 -152.76 119.76 5.8 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.982 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.0 m -135.42 20.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 108.729 -0.841 . . . . 10.0 108.729 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.3 -68.32 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.76 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.5 m -167.5 92.29 0.39 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.686 0.395 . . . . 10.0 110.327 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.419 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 48.4 t30 -57.58 148.53 23.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.266 0.555 . . . . 10.0 111.797 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' D' ' 28' ' ' LYS . 61.6 tttt -135.17 -118.67 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.831 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.753 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -152.78 101.01 0.21 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.945 -1.122 . . . . 10.0 113.93 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.809 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -72.62 158.32 35.88 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.698 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 mt -116.25 85.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.097 0.475 . . . . 10.0 110.037 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.881 HG22 ' HB ' ' D' ' 32' ' ' ILE . 16.7 pt -115.16 138.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.132 0.491 . . . . 10.0 112.265 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.9 122.05 3.08 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.355 -0.698 . . . . 10.0 111.355 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.5 mp -111.12 101.18 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.848 0.356 . . . . 10.0 110.675 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.473 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.7 mpp? -119.73 93.84 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.706 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB ' ' D' ' 36' ' ' VAL . 39.8 t -103.72 115.87 46.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.653 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' HE2' ' K' ' 35' ' ' MET . . . -112.16 127.34 8.02 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.738 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.02 127.42 3.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.629 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' K' ' 31' ' ' ILE . 7.6 p -127.4 120.33 54.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.425 0.631 . . . . 10.0 111.683 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.301 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.747 0.308 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.701 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 6.4 p -133.66 131.93 57.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -91.73 129.83 37.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 98.9 m-70 -132.91 94.95 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.064 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 29.4 pt20 -117.8 139.38 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.363 0.602 . . . . 10.0 112.507 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -138.65 129.28 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.914 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' E' ' 17' ' ' LEU . 8.4 mp -116.41 115.58 26.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.707 -0.678 . . . . 10.0 109.25 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' E' ' 18' ' ' VAL . 4.8 t -123.07 119.13 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 35.9 m-85 -116.63 123.48 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.665 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -104.54 127.75 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.196 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.12 103.24 5.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -104.57 88.08 2.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.172 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.64 ' HA ' HD21 ' E' ' 27' ' ' ASN . 0.7 OUTLIER -80.62 116.18 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.065 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.531 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.6 t -115.54 -27.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 10.0 111.276 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.91 -84.2 1.21 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -148.49 104.35 3.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.69 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.6 OUTLIER -54.75 151.38 8.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.914 -179.052 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.827 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 47.4 tttm -138.64 -90.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.282 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.809 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . 170.83 110.54 0.24 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.452 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -97.87 151.3 20.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.397 0.141 . . . . 10.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.712 HG13 HD13 ' L' ' 41' ' ' ILE . 6.0 mm -96.18 111.64 26.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.876 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.881 ' HB ' HG22 ' C' ' 32' ' ' ILE . 64.9 mt -129.77 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.267 -0.424 . . . . 10.0 109.949 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.439 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.1 117.52 5.6 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.692 -0.766 . . . . 10.0 112.215 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.3 mm? -104.67 98.88 8.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.571 ' HG2' ' CA ' ' L' ' 37' ' ' GLY . 2.2 mpp? -115.43 98.05 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.293 0.568 . . . . 10.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.7 ' HB ' HG13 ' C' ' 36' ' ' VAL . 35.9 t -105.87 128.06 60.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.372 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.581 ' CA ' ' HG2' ' L' ' 35' ' ' MET . . . -129.39 119.29 2.88 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.528 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 129.66 5.42 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.393 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.501 ' CG2' HG23 ' E' ' 39' ' ' VAL . 3.7 m -128.01 143.08 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' E' ' 40' ' ' VAL . 13.7 p -154.25 145.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.755 HD13 HG13 ' L' ' 31' ' ' ILE . 25.9 mm -65.74 131.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.489 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.047 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' F' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.985 0.898 . . . . 10.0 109.225 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . 0.432 HG12 ' CG1' ' D' ' 12' ' ' VAL . 18.5 m -76.14 124.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.602 -1.181 . . . . 10.0 112.835 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -87.25 92.12 8.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.49 107.17 18.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.235 0.541 . . . . 10.0 111.479 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.9 tt0 -118.76 118.19 30.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.286 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -131.32 127.68 38.16 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.086 0.469 . . . . 10.0 111.466 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . 0.447 ' HB2' ' HG ' ' D' ' 17' ' ' LEU . 25.5 mt -121.75 111.8 17.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.528 -0.915 . . . . 10.0 108.528 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.1 m -125.79 129.94 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.276 0.56 . . . . 10.0 112.445 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -123.9 127.94 48.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.785 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -109.82 107.81 17.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.148 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.02 15.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.69 140.78 41.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.966 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.4 OUTLIER -134.38 142.81 47.3 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.801 178.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.475 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.2 t -141.91 13.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.372 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -63.43 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.058 -1.068 . . . . 10.0 114.205 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.1 p -164.13 115.75 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.183 0.492 . . . . 10.0 110.477 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' D' ' 23' ' ' ASP . 4.1 m120 -76.96 157.04 31.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 10.0 111.591 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.827 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.9 tttm -138.78 -100.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -178.03 111.17 0.32 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.107 -1.044 . . . . 10.0 113.115 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.547 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -85.75 168.2 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.654 HG12 HD11 ' L' ' 41' ' ' ILE . 0.4 OUTLIER -121.88 89.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.14 123.72 68.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.148 0.499 . . . . 10.0 111.245 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 110.21 1.41 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.534 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.68 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.9 mp -102.19 105.29 15.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.918 0.389 . . . . 10.0 110.301 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.759 ' HG3' ' HA3' ' M' ' 37' ' ' GLY . 5.3 mmt -116.4 94.64 4.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.01 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' F' ' 36' ' ' VAL . 1.5 m -111.0 120.72 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -126.89 140.24 11.79 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.584 -0.817 . . . . 10.0 113.003 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.22 122.56 2.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.946 -0.645 . . . . 10.0 111.708 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.2 p -111.35 109.9 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.41 0.624 . . . . 10.0 110.624 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' F' ' 42' ' ' ALA . 21.4 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.945 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . 0.428 ' HB3' ' HG3' ' E' ' 11' ' ' GLU . 1.2 tp10 . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.297 0.57 . . . . 10.0 110.51 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 1.006 ' HB ' HG12 ' G' ' 12' ' ' VAL . 4.8 t -116.84 88.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -73.09 123.89 24.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.101 0.477 . . . . 10.0 111.477 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . 0.482 ' CD2' HG12 ' F' ' 12' ' ' VAL . 6.4 m-70 -124.82 97.95 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.691 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.0 tt0 -110.06 122.22 47.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.791 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -133.79 120.1 20.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.332 0.587 . . . . 10.0 112.035 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -112.47 121.47 44.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 10.0 109.447 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' G' ' 18' ' ' VAL . 11.6 t -125.25 118.52 52.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.549 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -118.23 127.72 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.32 128.47 55.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.0 93.61 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -101.5 95.94 6.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.57 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 20.2 m-20 -101.22 101.19 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.518 HG22 ' O ' ' G' ' 23' ' ' ASP . 12.4 m -98.38 8.08 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.23 -86.31 0.95 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.021 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -136.34 102.43 4.97 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.57 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.5 m120 -63.94 152.0 41.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.108 0.48 . . . . 10.0 111.26 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -138.14 -75.42 0.39 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 140.56 119.44 1.6 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.01 -1.091 . . . . 10.0 113.395 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.55 163.99 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.566 HG12 HG13 ' N' ' 39' ' ' VAL . 13.7 tt -109.03 114.42 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.648 0.737 . . . . 10.0 110.794 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -119.44 116.71 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.843 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.466 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -108.41 107.94 2.59 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.246 -0.741 . . . . 10.0 111.246 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.68 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.0 mm? -100.24 101.42 12.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 3.5 mpp? -117.16 96.41 5.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.124 0.488 . . . . 10.0 110.585 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG12 ' E' ' 36' ' ' VAL . 32.4 t -117.37 129.35 74.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.055 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.908 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -141.5 151.64 22.82 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.687 -0.768 . . . . 10.0 112.925 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 143.11 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.592 HG13 HG12 ' N' ' 31' ' ' ILE . 23.2 t -125.12 124.53 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.3 125.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -70.88 104.11 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.615 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.811 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.422 0.63 . . . . 10.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 1.006 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.9 m -113.82 130.59 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.189 -0.914 . . . . 10.0 112.989 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -95.05 97.53 10.02 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . 0.561 ' HB2' ' ND1' ' H' ' 14' ' ' HIS . 2.3 m-70 -86.59 120.42 27.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.469 . . . . 10.0 112.046 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.544 HE22 HG11 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -122.42 99.68 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -114.9 120.75 41.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 10.0 111.545 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . 0.832 HD13 HD21 ' G' ' 34' ' ' LEU . 3.9 mt -124.43 115.75 21.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.221 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -128.17 132.59 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -125.63 123.65 39.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.044 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.14 110.26 21.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.779 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.83 120.64 39.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -126.83 129.35 48.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' F' ' 24' ' ' VAL . 7.1 t70 -117.65 129.01 55.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.236 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 18.2 t -116.69 3.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.195 0.522 . . . . 10.0 110.239 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -135.7 -70.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.621 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -155.46 101.91 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.021 -0.362 . . . . 10.0 110.021 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.891 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 47.8 t-20 -68.88 148.82 49.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 10.0 110.953 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 37.4 tttp -121.12 -83.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.983 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.61 110.61 0.23 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.865 -1.16 . . . . 10.0 113.417 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.17 160.71 18.41 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.515 -0.18 . . . . 10.0 110.515 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 45.0 mt -104.9 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -106.83 113.59 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.459 . . . . 10.0 110.637 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.64 112.27 2.41 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.832 HD21 HD13 ' G' ' 17' ' ' LEU . 30.4 tp -113.4 106.92 15.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.81 0.338 . . . . 10.0 110.314 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.995 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.5 mpt? -117.38 102.34 9.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.277 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . 0.544 HG11 HE22 ' G' ' 15' ' ' GLN . 40.7 t -118.38 121.73 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.142 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.618 ' O ' ' HA2' ' H' ' 37' ' ' GLY . . . -142.81 145.28 15.17 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.944 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.19 148.43 18.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.323 -0.942 . . . . 10.0 112.628 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' H' ' 39' ' ' VAL . 20.9 m -119.23 147.11 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.72 0.295 . . . . 10.0 110.325 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.83 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.407 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.433 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -70.82 128.59 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.885 0.374 . . . . 10.0 110.552 179.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.69 132.31 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . 0.561 ' ND1' ' HB2' ' G' ' 14' ' ' HIS . 90.3 m-70 -116.55 115.78 26.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.447 -0.945 . . . . 10.0 108.447 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -112.5 120.55 42.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.781 0.324 . . . . 10.0 110.416 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -131.99 108.94 9.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.792 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD23 ' G' ' 17' ' ' LEU . 61.8 mt -116.32 116.83 28.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.278 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 t -119.55 121.21 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.43 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -123.32 134.38 54.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.857 0.36 . . . . 10.0 111.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -113.45 129.31 56.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.081 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -144.09 84.3 1.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.454 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 156.02 28.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.945 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 148.46 37.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 2.2 m -125.08 40.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.249 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.455 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -163.48 -70.44 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.259 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -146.79 86.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.868 0.366 . . . . 10.0 110.117 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.891 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -54.33 126.68 24.14 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.11 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 28.9 tttt -105.31 -77.61 0.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.812 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.76 125.79 2.87 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.305 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.88 177.79 4.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.935 0.398 . . . . 10.0 111.192 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.32 115.08 34.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.4 mt -120.59 101.27 10.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.76 112.59 3.01 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.101 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -116.09 101.94 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.872 0.368 . . . . 10.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.591 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.5 mpp? -106.92 99.88 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.84 130.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.981 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -141.55 146.0 16.83 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.751 -0.738 . . . . 10.0 112.558 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.83 144.41 15.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.118 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' G' ' 39' ' ' VAL . 6.4 m -128.56 131.77 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.555 -0.165 . . . . 10.0 110.555 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 110.297 -0.26 . . . . 10.0 110.297 179.449 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 C--O 1.235 0.317 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -87.09 88.52 7.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 10.0 111.115 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' J' ' 15' ' ' GLN . 10.2 tt0 -108.8 117.74 34.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.167 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -127.24 127.86 45.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.153 0.502 . . . . 10.0 112.207 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.11 110.24 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -123.4 126.74 73.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.297 0.57 . . . . 10.0 112.473 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -118.48 119.83 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.932 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -112.85 111.92 23.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.716 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.67 135.31 54.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.294 -0.412 . . . . 10.0 109.948 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 23.5 mm-40 -84.04 175.05 9.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.976 0.417 . . . . 10.0 111.82 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -153.51 82.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.7 t -116.36 -39.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.027 0.441 . . . . 10.0 110.454 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -91.66 -154.47 30.77 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.742 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.84 123.89 20.1 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.26 144.71 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.513 0.561 . . . . 10.0 112.513 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.684 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.7 tttm -167.64 167.88 13.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.246 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.26 144.61 18.34 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.377 -0.916 . . . . 10.0 113.693 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.751 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -87.63 158.81 18.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.744 -0.228 . . . . 10.0 110.414 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.535 ' HB ' HG12 ' J' ' 31' ' ' ILE . 12.4 mm -103.15 90.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 10.0 109.748 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 12.4 pt -109.5 128.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.736 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.67 100.6 1.13 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.316 -0.713 . . . . 10.0 111.316 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.44 94.63 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.749 0.309 . . . . 10.0 111.205 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.421 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.5 mpt? -127.87 75.7 1.63 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.264 0.555 . . . . 10.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' J' ' 36' ' ' VAL . 18.4 t -93.26 129.34 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.99 131.01 9.22 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.862 -0.685 . . . . 10.0 112.572 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.59 106.1 0.39 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.91 126.5 71.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.327 0.584 . . . . 10.0 111.625 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' J' ' 40' ' ' VAL . 60.4 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.13 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.539 ' O ' ' HA ' ' I' ' 15' ' ' GLN . 10.3 tt0 -110.73 126.86 55.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 10.0 111.531 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -131.41 124.25 29.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' K' ' 17' ' ' LEU . 8.8 mp -111.36 113.98 26.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.599 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.3 t -118.78 121.56 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.093 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.83 117.44 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.802 0.334 . . . . 10.0 111.595 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.41 121.9 44.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.53 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.72 117.74 19.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.9 mt-10 -89.12 158.57 17.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.326 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.471 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 9.2 m-20 -147.9 49.33 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.203 -0.665 . . . . 10.0 109.203 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.878 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 91.4 t -73.62 -28.26 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 10.0 111.189 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.42 -64.79 1.49 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.165 -1.017 . . . . 10.0 111.618 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.581 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.5 p -167.56 122.03 1.0 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 1.5 m120 -62.78 145.79 54.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.684 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 19.3 tptt -137.15 -83.54 0.34 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.709 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.751 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 155.39 91.98 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.2 -1.0 . . . . 10.0 112.556 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.766 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -77.94 148.77 34.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.701 HG13 ' HA ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -96.29 117.3 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.593 0.711 . . . . 10.0 109.892 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 33.1 mt -130.74 116.17 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.563 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -106.14 120.33 6.32 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.422 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.29 90.04 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.51 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 2.7 mpt? -120.67 85.3 2.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.467 0.651 . . . . 10.0 111.382 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' I' ' 36' ' ' VAL . 39.0 t -94.77 133.26 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.189 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.51 105.81 1.24 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.785 -0.722 . . . . 10.0 113.146 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 107.28 2.36 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' K' ' 39' ' ' VAL . 2.7 t -115.73 122.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.715 0.293 . . . . 10.0 110.854 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' I' ' 40' ' ' VAL . 48.0 t -131.13 130.0 63.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . 0.645 ' HA ' HG13 ' B' ' 31' ' ' ILE . 0.5 OUTLIER -65.23 143.93 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 120.941 0.4 . . . . 10.0 110.835 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . 0.466 ' H ' HD13 ' J' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . 0.702 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.391 0.615 . . . . 10.0 110.729 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 m -86.89 121.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.39 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -79.09 100.93 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.456 -0.942 . . . . 10.0 108.456 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . 0.417 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 6.0 m170 -87.3 114.7 24.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.325 0.583 . . . . 10.0 111.612 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 4.4 tt0 -125.16 102.27 7.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.207 -0.906 . . . . 10.0 108.78 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -114.96 121.65 43.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.027 0.441 . . . . 10.0 112.077 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . 0.541 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 49.3 mt -120.05 111.8 18.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . 0.584 HG13 HG13 ' L' ' 18' ' ' VAL . 6.7 p -133.95 131.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 12.0 m-85 -121.05 131.84 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.122 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.69 104.71 12.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.115 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.9 113.03 24.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.787 0.327 . . . . 10.0 110.178 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . 0.598 ' HB2' ' HA ' ' L' ' 22' ' ' GLU . 50.5 mt-10 -97.31 161.59 13.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.937 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.603 ' HB2' HD21 ' L' ' 27' ' ' ASN . 4.5 t70 -158.26 116.1 2.97 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.327 179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' J' ' 24' ' ' VAL . 10.5 m -133.16 13.7 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.6 -66.16 0.21 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.009 -0.996 . . . . 10.0 112.04 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.4 p -175.53 87.26 0.04 OUTLIER 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.362 0.265 . . . . 10.0 110.669 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 57.3 t30 -51.76 142.62 14.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.236 0.541 . . . . 10.0 112.256 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 75.9 tttt -128.51 -112.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.779 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . 0.766 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -156.8 101.87 0.21 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.879 -1.153 . . . . 10.0 113.482 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . 0.712 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -72.73 157.44 37.5 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.2 mt -116.13 85.49 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.826 HG22 ' HB ' ' L' ' 32' ' ' ILE . 20.3 pt -114.85 137.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 10.0 112.364 -178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.05 121.16 3.12 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . 0.503 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -110.98 100.19 8.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 10.0 110.428 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 35' ' ' MET . . . . . 0.51 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.6 mpp? -120.26 93.0 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.923 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.724 HG13 ' HB ' ' L' ' 36' ' ' VAL . 38.8 t -101.57 118.94 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.638 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.11 126.13 7.05 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.622 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.45 129.14 4.41 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.564 -0.615 . . . . 10.0 111.564 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' C' ' 31' ' ' ILE . 7.2 p -128.4 122.79 58.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.479 0.657 . . . . 10.0 111.652 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.453 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.34 0.114 . . . . 10.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.702 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 7.0 p -104.61 135.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.694 0.283 . . . . 10.0 111.255 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -92.99 132.27 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.023 0.439 . . . . 10.0 111.622 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 95.6 m-70 -133.95 92.73 2.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.418 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 27.8 pt20 -116.08 137.03 52.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.587 . . . . 10.0 112.448 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' L' ' 16' ' ' LYS . 36.4 ttpt -137.98 127.36 24.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.898 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.2 mp -114.77 117.62 31.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.358 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.77 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.8 t -124.27 119.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.704 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 34.9 m-85 -117.77 120.12 36.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.766 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.38 97.36 3.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' K' ' 22' ' ' GLU . 1.9 pt-20 -104.4 96.59 6.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.276 0.56 . . . . 10.0 112.034 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 124.1 31.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.809 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.44 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 85.8 t -119.96 -30.15 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.776 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.71 -76.24 1.23 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.336 -0.935 . . . . 10.0 113.172 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 26' ' ' SER . . . . . 0.491 ' C ' HD22 ' M' ' 27' ' ' ASN . 61.0 m -154.45 101.01 2.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . 0.603 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -52.79 148.87 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.007 0.817 . . . . 10.0 112.175 -178.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.964 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 20.0 tttm -137.31 -86.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.069 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 164.13 113.67 0.29 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.093 -1.051 . . . . 10.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . 0.428 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -97.82 154.78 17.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.398 0.142 . . . . 10.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.755 HG13 HD13 ' D' ' 41' ' ' ILE . 6.1 mm -98.72 110.0 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.826 ' HB ' HG22 ' K' ' 32' ' ' ILE . 47.7 mt -128.62 109.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.15 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . 0.495 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -106.6 117.61 5.42 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.068 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.5 mm? -105.53 98.09 7.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 35' ' ' MET . . . . . 0.581 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 2.2 mpp? -115.39 98.71 6.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.348 0.594 . . . . 10.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.724 ' HB ' HG13 ' K' ' 36' ' ' VAL . 29.2 t -104.64 128.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.571 ' CA ' ' HG2' ' D' ' 35' ' ' MET . . . -127.43 121.63 3.92 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.288 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.52 127.72 4.05 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.35 -0.929 . . . . 10.0 112.745 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' M' ' 39' ' ' VAL . 2.9 m -128.38 142.44 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -151.73 143.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.878 0.371 . . . . 10.0 111.367 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . 0.712 HD13 HG13 ' D' ' 31' ' ' ILE . 34.0 mm -67.38 128.95 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.517 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.255 179.635 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' N' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.767 0.794 . . . . 10.0 109.656 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.28 124.14 32.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.911 -1.041 . . . . 10.0 112.006 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -86.17 89.27 7.78 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -86.02 113.42 22.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.618 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 16.2 tt0 -126.48 122.4 35.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.204 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -135.71 128.88 31.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.865 0.364 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 25.2 mt -122.3 110.68 15.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.31 -0.996 . . . . 10.0 108.31 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.77 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.1 m -124.07 128.34 73.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -122.56 124.97 44.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.686 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -106.93 105.52 15.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.215 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.29 111.57 22.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.903 0.382 . . . . 10.0 109.97 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' L' ' 22' ' ' GLU . 34.8 mt-10 -112.36 138.61 48.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.988 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.83 143.15 49.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.853 0.359 . . . . 10.0 110.475 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -142.39 13.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.2 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -141.6 -64.13 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.036 -1.078 . . . . 10.0 114.59 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.83 122.26 3.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.246 0.523 . . . . 10.0 110.331 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . 0.491 HD22 ' C ' ' L' ' 26' ' ' SER . 4.9 m-80 -85.64 147.9 26.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.073 0.464 . . . . 10.0 111.533 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.964 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 13.3 mttm -130.92 -96.02 0.36 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.177 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 171.94 113.25 0.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.707 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -84.11 165.12 18.75 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.695 HG12 HD11 ' D' ' 41' ' ' ILE . 0.6 OUTLIER -116.05 92.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.411 HG23 ' HB ' ' N' ' 32' ' ' ILE . 9.1 mt -113.78 125.22 71.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 10.0 111.187 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.73 110.09 1.33 Allowed Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.974 -0.632 . . . . 10.0 111.561 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.697 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.1 mp -101.87 105.13 15.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.838 0.351 . . . . 10.0 110.208 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.2 mmt -117.45 95.67 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.905 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . 0.63 HG12 ' HB ' ' N' ' 36' ' ' VAL . 1.8 m -111.83 124.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.591 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . 0.759 ' HA3' ' HG3' ' E' ' 35' ' ' MET . . . -131.62 133.19 7.07 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.217 -0.992 . . . . 10.0 113.194 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.49 123.19 3.3 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.983 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . 0.538 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.5 p -111.86 111.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.262 0.553 . . . . 10.0 110.522 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.451 HG12 ' HB2' ' N' ' 42' ' ' ALA . 20.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.99 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -108.89 92.97 2.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -77.45 125.01 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 10.0 111.865 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -121.92 97.47 5.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.816 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' M' ' 15' ' ' GLN . 17.3 tt0 -108.99 119.4 39.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.799 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . 0.591 ' HG3' ' HG2' ' O' ' 16' ' ' LYS . 16.9 ptmt -135.4 121.75 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.43 0.633 . . . . 10.0 112.153 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.7 mp -113.41 120.6 41.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.445 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . 0.933 ' HB ' HG12 ' O' ' 18' ' ' VAL . 10.7 t -122.21 116.66 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.335 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -116.87 127.01 53.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.638 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -109.21 127.56 54.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.14 89.19 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.31 104.46 14.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . 0.575 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 32.1 m-20 -108.25 111.84 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.187 0.517 . . . . 10.0 110.273 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' O' ' 24' ' ' VAL . 19.8 m -100.1 11.83 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -120.22 -89.52 1.14 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.231 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.05 97.78 3.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 1.3 m120 -62.58 140.56 58.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.446 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 0.1 OUTLIER -125.18 -72.95 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.384 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 140.04 118.43 1.53 Allowed Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.907 -1.139 . . . . 10.0 113.682 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -94.01 165.96 12.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.592 HG12 HG13 ' F' ' 39' ' ' VAL . 11.9 tt -110.59 117.98 56.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.563 0.697 . . . . 10.0 110.726 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.45 HG12 HD12 ' O' ' 32' ' ' ILE . 15.9 mt -122.05 117.35 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.817 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -108.62 109.33 2.82 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.113 -0.795 . . . . 10.0 111.113 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.697 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -100.74 101.07 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.908 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 3.4 mpp? -116.35 97.33 5.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.031 0.443 . . . . 10.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . 0.63 ' HB ' HG12 ' M' ' 36' ' ' VAL . 39.7 t -116.36 130.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.734 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.04 144.72 14.99 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.506 -0.854 . . . . 10.0 113.139 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.61 142.04 12.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.124 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . 0.566 HG13 HG12 ' F' ' 31' ' ' ILE . 32.6 t -126.37 123.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' M' ' 40' ' ' VAL . 3.1 p -143.07 124.87 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -70.58 108.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.347 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . 0.451 ' HB2' HG12 ' M' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.733 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . 0.441 ' HB3' HG13 ' P' ' 12' ' ' VAL . 15.3 mt-10 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.969 0.414 . . . . 10.0 111.415 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' N' ' 12' ' ' VAL . 19.4 m -111.05 127.69 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -94.53 101.38 13.27 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -89.4 120.58 30.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -120.67 94.3 4.32 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . 0.591 ' HG2' ' HG3' ' N' ' 16' ' ' LYS . 1.1 tmmm? -110.96 115.58 29.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.219 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . 0.836 HD13 HD21 ' O' ' 34' ' ' LEU . 4.7 mt -121.6 119.05 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.933 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.3 m -130.71 132.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' P' ' 32' ' ' ILE . 30.8 m-85 -125.78 124.44 40.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.143 -0.935 . . . . 10.0 108.886 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -110.72 110.73 21.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 119.38 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' P' ' 22' ' ' GLU . 32.5 mt-10 -124.38 129.44 50.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.894 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.03 127.19 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 10.0 110.662 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' N' ' 24' ' ' VAL . 5.9 t -118.86 10.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.296 0.57 . . . . 10.0 109.719 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.44 -71.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.129 -1.034 . . . . 10.0 112.99 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -158.36 109.67 2.19 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . 0.69 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.4 t-20 -66.68 149.34 50.66 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.392 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 63.5 tttp -126.43 -78.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.969 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 158.34 106.32 0.23 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.673 -1.251 . . . . 10.0 113.544 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 162.48 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -107.95 96.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . 0.45 HD12 HG12 ' N' ' 32' ' ' ILE . 64.0 mt -105.08 114.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.626 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.54 104.35 0.98 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.305 -0.718 . . . . 10.0 111.305 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . 0.836 HD21 HD13 ' O' ' 17' ' ' LEU . 39.4 tp -107.48 113.1 26.22 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.496 ' HG3' ' HG3' ' P' ' 35' ' ' MET . 1.3 ptp -128.69 108.19 10.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.281 0.562 . . . . 10.0 110.998 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -120.98 123.58 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.237 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . 0.995 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -141.17 132.68 5.46 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.833 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.27 147.76 19.32 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.746 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' N' ' 39' ' ' VAL . 26.5 m -118.52 142.02 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 10.0 110.497 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.821 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.703 0.287 . . . . 10.0 110.64 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 12' ' ' VAL . . . . . 0.549 HG21 ' N ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -67.04 140.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.624 -0.509 . . . . 10.0 109.624 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -68.54 131.23 44.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -115.15 105.56 13.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -104.58 122.19 45.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.088 0.471 . . . . 10.0 110.849 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -134.36 112.52 11.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD23 ' O' ' 17' ' ' LEU . 6.9 mp -118.79 122.83 43.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.08 124.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.292 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -128.18 131.74 48.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.857 0.36 . . . . 10.0 111.127 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -110.72 129.79 55.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.405 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.72 78.11 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' HB2' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -109.91 158.35 18.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.766 -178.574 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -149.5 151.0 33.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.1 OUTLIER -127.59 29.79 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.524 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.25 -60.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.805 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -151.23 94.04 1.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.69 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 0.2 OUTLIER -60.9 123.27 17.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.783 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . 0.519 ' N ' HD22 ' P' ' 27' ' ' ASN . 36.4 tttp -101.08 -83.22 0.45 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.648 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.31 112.02 1.56 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.575 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 179.97 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.844 0.354 . . . . 10.0 111.165 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pt -98.26 113.02 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . 0.531 HG21 ' HE2' ' O' ' 19' ' ' PHE . 41.6 mt -117.46 102.19 13.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.996 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 120.56 5.02 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.079 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.45 107.55 13.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 10.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.981 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mpt? -108.05 98.93 8.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.066 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -108.63 126.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.366 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -135.26 154.24 21.55 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.86 139.01 6.95 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.164 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -127.42 138.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -175.8 166.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.121 -0.325 . . . . 10.0 110.121 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 14.5 pt -95.79 -178.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 10.0 110.388 -179.683 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.467 ' H ' HG12 ' A' ' 12' ' ' VAL . 3.0 t-160 -102.71 114.87 29.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.273 -1.33 . . . . 10.0 108.568 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -94.08 87.09 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -103.13 117.46 34.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.725 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -138.59 131.03 28.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.972 0.415 . . . . 10.0 111.67 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.84 109.96 14.84 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -119.75 123.73 71.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.313 0.578 . . . . 10.0 112.457 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -114.55 117.95 32.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.6 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -111.25 107.33 16.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.801 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -108.21 128.95 55.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.883 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 3.1 mm-40 -75.99 173.51 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.384 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -152.9 84.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.802 0.334 . . . . 10.0 111.47 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.867 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 44.5 t -122.89 -37.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.697 0.284 . . . . 10.0 111.011 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.561 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -91.72 -155.63 31.95 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.163 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 p -70.28 128.12 35.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.383 -0.229 . . . . 10.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -58.88 151.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 25.3 tptt -160.02 -144.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.422 -0.808 . . . . 10.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.22 128.65 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.331 -0.938 . . . . 10.0 113.138 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.65 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -83.35 157.27 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.588 0.233 . . . . 10.0 110.597 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.632 ' HB ' HD13 ' B' ' 31' ' ' ILE . 31.7 mm -106.55 90.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' B' ' 32' ' ' ILE . 19.5 pt -105.82 136.75 38.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.623 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.11 95.71 0.58 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 93.67 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.024 0.44 . . . . 10.0 110.822 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.9 mpt? -124.29 77.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.173 0.511 . . . . 10.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.47 119.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.667 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.7 107.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.56 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -135.86 116.32 1.47 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.354 -0.699 . . . . 10.0 111.354 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.36 137.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 10.0 111.221 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' HB ' ' B' ' 40' ' ' VAL . 60.2 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -114.53 112.77 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.146 0.498 . . . . 10.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -124.13 123.66 40.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.762 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -105.94 111.55 24.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.247 -0.888 . . . . 10.0 108.98 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.1 t -114.76 120.54 64.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.02 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.54 117.26 25.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.883 0.373 . . . . 10.0 111.384 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -104.06 118.95 37.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.948 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -127.45 109.62 11.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.883 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 73.9 mt-10 -90.67 152.54 20.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . 0.68 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 13.5 m-20 -141.99 61.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.867 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 46.5 t -80.43 -20.83 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.071 0.462 . . . . 10.0 111.05 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.2 -61.91 1.02 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 10.0 111.783 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . 0.561 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 77.9 p -165.35 120.39 1.3 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . 0.68 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -64.1 148.98 48.61 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.797 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -143.48 -99.19 0.12 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.874 -0.33 . . . . 10.0 111.812 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 172.78 107.15 0.2 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.664 -1.255 . . . . 10.0 113.092 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' CA ' ' C' ' 29' ' ' GLY . . . -89.95 156.7 18.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.637 0.256 . . . . 10.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.81 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.1 mm -99.37 100.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.655 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -114.3 106.1 20.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.787 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.53 114.58 5.05 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.873 -0.679 . . . . 10.0 111.922 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -111.67 91.74 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HA ' ' C' ' 35' ' ' MET . 1.4 mpt? -121.67 90.41 3.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.378 0.609 . . . . 10.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' C' ' 36' ' ' VAL . 43.7 t -101.77 128.35 54.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . 0.457 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.48 118.86 4.08 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.02 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -140.76 113.78 0.89 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.255 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' C' ' 39' ' ' VAL . 35.2 m -124.37 139.25 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.077 0.465 . . . . 10.0 110.729 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 40' ' ' VAL . 46.3 t -125.51 136.83 59.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.153 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ILE . . . . . 0.781 ' HA ' HG13 ' J' ' 31' ' ' ILE . 18.1 tt -64.1 131.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.011 0.434 . . . . 10.0 111.129 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.613 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . 0.613 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.289 0 CA-C-O 121.25 0.547 . . . . 10.0 111.319 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -98.26 120.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.688 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -87.32 96.79 10.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -86.15 110.29 19.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.157 0.503 . . . . 10.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -126.21 93.36 3.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.121 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -105.37 120.6 41.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.842 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.7 mt -116.77 111.97 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . 0.535 HG13 HG13 ' D' ' 18' ' ' VAL . 7.5 p -134.91 132.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -121.2 130.51 53.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.423 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -112.12 99.04 7.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.193 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.0 124.44 49.59 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 66.8 mt-10 -116.82 150.01 39.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.632 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.0 t70 -142.83 125.61 16.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.035 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 8.1 m -137.18 13.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -128.33 -68.65 0.13 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.575 -0.738 . . . . 10.0 112.295 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.0 p -169.87 87.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -53.87 145.94 15.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . 0.797 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 63.4 tttt -129.79 -100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.712 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' B' ' 30' ' ' ALA . . . -175.68 111.57 0.36 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.424 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -82.94 149.39 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' D' ' 31' ' ' ILE . 0.3 OUTLIER -102.28 91.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.655 HG22 HG13 ' D' ' 32' ' ' ILE . 27.4 pt -112.77 129.89 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.372 0.606 . . . . 10.0 112.03 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.17 113.0 2.03 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.04 104.21 13.6 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . 0.521 ' HA ' ' O ' ' B' ' 35' ' ' MET . 2.5 mpt? -126.35 97.56 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.25 0.548 . . . . 10.0 111.049 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB ' ' D' ' 36' ' ' VAL . 25.5 t -102.55 123.29 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.564 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -117.25 114.85 3.08 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.432 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . 0.473 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -130.51 122.22 3.53 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.776 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' B' ' 39' ' ' VAL . 4.2 p -123.43 120.77 61.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.487 0.66 . . . . 10.0 110.806 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.934 -179.135 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' D' ' 12' ' ' VAL . 3.1 tp10 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 110.775 -0.083 . . . . 10.0 110.775 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . 0.613 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 11.6 p -106.06 132.69 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.196 0.522 . . . . 10.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -61.24 132.33 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -130.68 99.15 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.325 -0.852 . . . . 10.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' E' ' 15' ' ' GLN . 9.7 pt20 -122.33 136.94 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -130.0 118.59 21.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.099 -0.955 . . . . 10.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -109.32 113.66 26.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.314 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.771 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.5 t -124.34 121.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.343 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -117.83 122.96 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.464 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' E' ' 20' ' ' PHE . 98.6 m-85 -101.6 124.76 47.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 97.1 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -101.37 100.73 11.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.282 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -93.02 116.92 29.5 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.95 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 64.9 t -111.68 -30.49 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.896 0.379 . . . . 10.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.09 -123.67 2.88 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.443 -0.884 . . . . 10.0 111.928 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -99.72 98.5 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -51.06 145.98 6.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.969 -0.559 . . . . 10.0 112.003 -179.091 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 42.4 tttm -135.0 -88.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.568 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 155.47 121.87 0.76 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.636 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -92.67 159.88 15.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.442 HD11 HG13 ' K' ' 39' ' ' VAL . 3.2 tp -111.13 98.95 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.702 0.763 . . . . 10.0 109.893 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.913 HG22 ' HB ' ' E' ' 32' ' ' ILE . 1.3 pt -123.5 130.54 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.359 -0.837 . . . . 10.0 111.367 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.28 128.98 7.98 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.467 -0.788 . . . . 10.0 112.188 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.32 95.63 5.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.2 mpt? -115.63 99.26 7.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.422 0.629 . . . . 10.0 111.262 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' C' ' 36' ' ' VAL . 40.3 t -107.83 128.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.239 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' C' ' 37' ' ' GLY . . . -129.62 133.11 7.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.638 -0.791 . . . . 10.0 112.472 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.08 136.42 5.97 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.659 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' E' ' 39' ' ' VAL . 2.2 m -129.36 152.45 37.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . 0.519 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.3 p -156.36 153.88 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 10.0 111.656 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ILE . . . . . 0.56 HD11 HG12 ' M' ' 31' ' ' ILE . 18.3 mm -74.0 130.67 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.6 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.84 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . 0.94 ' HA ' HG22 ' F' ' 12' ' ' VAL . 6.1 mp0 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.704 0.764 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.38 130.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.876 -1.057 . . . . 10.0 111.725 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.43 108.75 8.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -97.64 112.97 24.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.035 0.445 . . . . 10.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' D' ' 15' ' ' GLN . 2.1 tt0 -118.07 115.08 24.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.55 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -122.3 120.81 35.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.259 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 41.9 mt -120.64 108.97 14.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.771 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.0 m -125.08 126.55 71.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.275 0.559 . . . . 10.0 112.508 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.402 ' CE2' HG21 ' E' ' 32' ' ' ILE . 24.3 m-85 -121.04 122.89 41.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.602 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.449 ' HA ' ' HB2' ' D' ' 20' ' ' PHE . 55.5 m-85 -105.58 99.56 9.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.071 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 105.99 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 10.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.15 135.72 54.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.132 0.491 . . . . 10.0 111.935 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 149.11 43.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.194 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.6 OUTLIER -140.71 19.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.16 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.84 -53.49 0.01 OUTLIER Glycine 0 C--N 1.333 0.415 0 C-N-CA 119.664 -1.255 . . . . 10.0 114.419 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.4 p -163.74 118.57 1.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.05 0.425 . . . . 10.0 110.581 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -79.31 156.16 28.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.571 . . . . 10.0 112.065 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.7 tttt -141.96 -117.64 0.11 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.22 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -165.69 109.92 0.38 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.384 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.488 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -82.51 153.38 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.648 HG12 HD11 ' L' ' 41' ' ' ILE . 0.6 OUTLIER -111.12 95.79 4.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . 0.913 ' HB ' HG22 ' D' ' 32' ' ' ILE . 25.2 mt -124.2 125.67 70.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.585 -0.446 . . . . 10.0 111.424 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.21 4.03 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.558 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.64 ' HG ' HD23 ' F' ' 34' ' ' LEU . 6.1 mp -109.46 106.55 16.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . 0.508 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 mpt? -121.59 100.13 6.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.1 t -108.07 116.76 52.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . 0.849 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -121.95 124.25 5.7 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.96 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.47 129.04 6.31 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.068 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . 0.558 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.4 p -117.73 115.0 47.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.098 0.475 . . . . 10.0 110.631 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . 0.519 ' HB ' HG23 ' D' ' 40' ' ' VAL . 25.7 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.115 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.075 0.464 . . . . 10.0 110.091 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . 0.991 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.0 t -118.54 114.56 45.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.345 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -87.69 127.96 35.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.051 0.453 . . . . 10.0 111.606 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -123.77 105.18 9.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.377 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 2.3 tt0 -110.99 119.25 38.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.901 0.382 . . . . 10.0 110.859 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -130.38 114.76 15.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.353 0.597 . . . . 10.0 111.751 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.44 118.68 36.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.571 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . 0.828 ' HB ' HG12 ' G' ' 18' ' ' VAL . 13.4 t -123.84 115.06 43.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.727 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.7 126.68 54.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.661 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -105.52 129.29 53.83 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.733 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 86.1 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.438 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' G' ' 22' ' ' GLU . 5.4 pt-20 -109.48 110.99 22.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.152 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' F' ' 27' ' ' ASN . 44.4 m-20 -114.42 119.22 36.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.055 0.455 . . . . 10.0 110.346 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' G' ' 24' ' ' VAL . 32.8 m -100.79 10.34 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.387 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.8 -82.09 0.84 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 p -150.18 100.26 2.89 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.592 -0.522 . . . . 10.0 109.592 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' E' ' 28' ' ' LYS . 1.2 m120 -61.76 142.36 57.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.784 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . 0.654 ' HA ' ' HD3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -123.59 -62.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.592 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 131.29 118.61 2.01 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.114 -1.041 . . . . 10.0 113.752 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -93.89 166.08 12.35 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.599 HG12 HG13 ' N' ' 39' ' ' VAL . 14.7 tt -111.45 113.36 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.759 0.79 . . . . 10.0 111.342 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' E' ' 32' ' ' ILE . 18.1 mt -120.11 125.0 73.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.738 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.5 113.21 2.95 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.64 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.3 mm? -105.11 98.55 8.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.5 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.8 mpt? -116.04 99.49 7.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.205 0.526 . . . . 10.0 110.974 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.09 132.67 53.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.022 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . 0.53 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -133.62 138.28 9.98 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.576 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.88 134.0 6.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.298 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . 0.644 HG13 HG12 ' N' ' 31' ' ' ILE . 47.8 t -125.8 127.09 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.7 p -150.27 129.38 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 pt -76.41 139.22 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.921 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.416 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.096 0.474 . . . . 10.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . 0.991 HG12 ' HB ' ' F' ' 12' ' ' VAL . 8.1 m -130.02 134.18 63.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.127 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 5.2 t60 -94.05 102.3 14.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -92.36 120.46 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.59 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 0.0 OUTLIER -117.24 99.94 7.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -111.62 111.41 22.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 10.0 111.211 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -114.8 117.65 31.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . 0.828 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.7 m -130.53 130.29 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -125.44 122.29 36.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.293 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.74 105.84 16.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.598 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.21 117.95 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.177 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 22' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' F' ' 22' ' ' GLU . 3.5 pt-20 -134.57 133.3 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.386 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HB2' ' H' ' 27' ' ' ASN . 4.3 t70 -118.87 138.41 52.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.868 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.537 ' HA ' HG22 ' F' ' 24' ' ' VAL . 10.5 t -117.25 1.18 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.286 0.565 . . . . 10.0 110.22 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -126.54 -73.28 0.19 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.378 -0.915 . . . . 10.0 113.141 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -157.3 110.73 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . 0.861 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 22.3 t-20 -63.49 148.94 47.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 14.8 tttp -124.82 -80.27 0.62 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.716 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 161.69 114.33 0.33 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.851 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.9 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.096 0.158 . . . . 10.0 110.641 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 38.0 mt -107.32 97.39 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 38.0 mt -112.15 114.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.427 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.69 125.75 6.24 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.058 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' H' ' 34' ' ' LEU . 5.0 mp -124.11 109.37 13.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.842 0.353 . . . . 10.0 110.28 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.765 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.4 mpt? -120.83 104.4 9.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.057 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.88 114.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.254 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . 0.763 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -125.28 127.99 6.45 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.238 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.5 138.87 9.3 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.499 -0.858 . . . . 10.0 112.353 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . 0.617 HG12 ' HB ' ' F' ' 39' ' ' VAL . 21.4 m -124.67 139.6 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 10.0 110.698 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 3.8 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.229 -0.286 . . . . 10.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -76.2 133.15 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.619 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 27.6 t60 -72.52 138.62 47.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.959 0.726 . . . . 10.0 112.959 -177.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -123.46 95.53 4.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.859 . . . . 10.0 108.745 178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -93.24 126.41 38.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.878 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -133.69 120.41 20.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.399 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.191 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 t -115.54 117.9 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.244 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.59 133.61 52.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.075 0.464 . . . . 10.0 111.036 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.34 133.77 52.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.029 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.68 70.96 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.796 -0.816 . . . . 10.0 108.796 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 22' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' H' ' 22' ' ' GLU . 0.0 OUTLIER -100.43 148.95 24.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.609 -178.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . 0.414 ' O ' HG23 ' G' ' 24' ' ' VAL . 3.6 t70 -145.8 141.21 27.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.196 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.25 31.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 10.0 110.736 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . 0.55 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -151.42 -64.68 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.607 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -153.39 92.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.861 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.5 t-20 -47.95 123.95 6.83 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 123.597 0.56 . . . . 10.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -104.63 -80.8 0.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.231 0.539 . . . . 10.0 109.989 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.27 112.8 2.46 Favored Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.425 -0.807 . . . . 10.0 112.3 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.57 -179.28 4.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.576 0.227 . . . . 10.0 110.551 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.77 116.0 46.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.125 0.488 . . . . 10.0 110.743 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -122.75 116.79 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.576 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.73 115.74 3.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.049 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' G' ' 34' ' ' LEU . 3.2 mm? -102.88 99.57 9.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 35' ' ' MET . . . . . 0.438 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 6.2 mtm -109.81 103.8 12.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.26 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.29 129.45 66.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.352 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . 0.612 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.03 138.48 10.17 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.041 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.38 130.09 4.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.638 -0.585 . . . . 10.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.486 ' HB ' HD11 ' P' ' 31' ' ' ILE . 0.9 OUTLIER -126.96 135.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.23 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 108.711 -0.848 . . . . 10.0 108.711 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -103.46 100.15 10.0 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -118.95 119.71 35.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.797 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -139.25 125.45 20.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.65 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . 0.451 HD22 HD23 ' I' ' 34' ' ' LEU . 3.9 mp -116.23 101.96 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -111.47 121.22 63.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.487 0.66 . . . . 10.0 112.504 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -113.88 120.04 39.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.193 -0.912 . . . . 10.0 109.647 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.91 109.11 17.64 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.997 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.91 137.74 44.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.817 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 22' ' ' GLU . . . . . 0.729 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 25.7 mm-40 -86.66 167.26 14.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.169 0.509 . . . . 10.0 111.104 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -142.64 89.63 2.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.783 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 48.6 t -127.05 -46.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 10.0 110.131 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . 0.606 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -88.06 -156.4 30.49 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.866 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 26' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -67.28 129.52 40.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -65.04 152.66 42.9 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.031 0.752 . . . . 10.0 113.031 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' I' ' 28' ' ' LYS . 6.6 tptm -162.15 -144.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.656 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.57 132.32 3.06 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.159 -1.019 . . . . 10.0 113.409 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.698 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -88.44 139.17 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.351 . . . . 10.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD13 ' J' ' 31' ' ' ILE . 31.2 mm -87.37 90.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.161 0.505 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.4 pt -104.82 128.38 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.075 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 94.36 0.7 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 121.1 -0.571 . . . . 10.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.451 HD23 HD22 ' I' ' 17' ' ' LEU . 6.7 mp -88.53 99.16 12.08 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 35' ' ' MET . . . . . 0.553 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.4 mpt? -130.18 68.32 1.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.264 0.554 . . . . 10.0 111.243 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.79 123.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.398 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.21 108.09 1.57 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.987 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' J' ' 38' ' ' GLY . . . -131.56 122.26 3.36 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.423 HG12 HG12 ' J' ' 39' ' ' VAL . 14.8 p -145.63 138.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.011 0.434 . . . . 10.0 111.034 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.376 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 52.5 m80 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 121.048 0.451 . . . . 10.0 110.268 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' K' ' 15' ' ' GLN . 10.3 tt0 -115.39 116.09 27.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.912 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -127.32 129.24 47.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.523 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . 0.425 ' HB3' ' HE1' ' J' ' 19' ' ' PHE . 6.2 mp -110.1 110.94 22.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.081 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 4.0 t -114.3 117.78 56.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.168 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.425 ' HE1' ' HB3' ' J' ' 17' ' ' LEU . 67.0 m-85 -119.95 115.3 23.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.177 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -104.08 114.58 28.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.02 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.54 111.01 15.77 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 22' ' ' GLU . . . . . 0.594 ' HG2' ' HG3' ' I' ' 22' ' ' GLU . 52.7 mt-10 -92.47 152.23 19.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . 0.729 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 m-20 -141.41 59.36 1.51 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.981 0.419 . . . . 10.0 110.3 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.783 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 38.4 t -76.26 -19.07 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.331 0.586 . . . . 10.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.73 -61.63 0.95 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.577 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 26' ' ' SER . . . . . 0.606 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 48.8 p -169.62 127.63 0.93 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . 0.571 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 9.8 m120 -68.23 152.11 45.94 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 4.1 tptt -145.14 -90.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.157 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.43 103.15 0.17 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.767 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.493 ' HA ' ' CA ' ' K' ' 29' ' ' GLY . . . -88.1 153.26 21.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.597 0.237 . . . . 10.0 110.704 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.781 HG13 ' HA ' ' B' ' 41' ' ' ILE . 22.0 mm -97.01 100.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 32.0 mt -113.32 108.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.075 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.22 117.36 5.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 10.0 111.581 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.04 85.92 2.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.0 mpt? -118.44 85.28 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.459 0.647 . . . . 10.0 111.239 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . 0.506 HG13 ' HB ' ' K' ' 36' ' ' VAL . 34.1 t -97.26 130.37 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.287 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.17 123.64 5.49 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.631 -0.795 . . . . 10.0 112.353 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' K' ' 38' ' ' GLY . . . -142.7 116.13 1.0 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.167 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' K' ' 39' ' ' VAL . 28.6 m -125.27 141.23 45.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 10.0 110.581 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -127.77 137.54 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.896 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 41' ' ' ILE . . . . . 0.81 ' HA ' HG13 ' B' ' 31' ' ' ILE . 18.2 tt -64.21 130.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 10.0 111.158 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.675 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' K' K ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.338 0.59 . . . . 10.0 111.254 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -91.42 116.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 10.0 112.521 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -87.38 99.62 12.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -85.68 112.74 21.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.158 0.504 . . . . 10.0 111.933 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 15' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 15.0 tt0 -128.71 91.09 3.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.101 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.74 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -116.59 114.41 24.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' L' ' 18' ' ' VAL . 7.1 p -135.16 131.51 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.005 0.742 . . . . 10.0 113.005 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -121.33 128.37 52.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.883 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -110.32 104.34 13.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.692 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.62 113.11 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 22' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 51.2 mt-10 -105.63 146.98 28.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.918 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' J' ' 22' ' ' GLU . 2.4 t70 -139.45 126.29 20.83 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.016 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 12.1 m -137.6 14.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' L' ' 25' ' ' GLY . . . -130.11 -70.07 0.11 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.075 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.93 82.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 0.124 . . . . 10.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 27' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' J' ' 26' ' ' SER . 58.6 t30 -50.01 144.23 7.04 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 28' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' J' ' 28' ' ' LYS . 29.3 tttt -129.77 -105.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.485 -0.779 . . . . 10.0 111.03 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 29' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' J' ' 30' ' ' ALA . . . -168.27 110.24 0.38 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 119.999 -1.096 . . . . 10.0 113.431 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 30' ' ' ALA . . . . . 0.525 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.89 148.13 27.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 31' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' L' ' 31' ' ' ILE . 0.1 OUTLIER -102.43 90.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' K' K ' 32' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' L' ' 32' ' ' ILE . 34.7 pt -112.9 131.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 10.0 111.795 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.22 115.22 2.47 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.009 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.54 96.87 6.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.006 0.431 . . . . 10.0 110.154 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' K' K ' 35' ' ' MET . . . . . 0.547 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 4.1 mpp? -119.77 95.47 4.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.241 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 36' ' ' VAL . . . . . 0.506 ' HB ' HG13 ' J' ' 36' ' ' VAL . 40.7 t -102.24 121.98 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.563 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 37' ' ' GLY . . . . . 0.441 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -115.88 116.15 3.57 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.965 -0.636 . . . . 10.0 112.378 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 38' ' ' GLY . . . . . 0.46 ' O ' ' HA2' ' J' ' 38' ' ' GLY . . . -129.23 124.69 4.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.69 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' J' ' 39' ' ' VAL . 7.7 p -125.29 121.42 60.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.389 0.614 . . . . 10.0 111.024 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.009 -179.222 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' L' L ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 31.7 mt-10 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 12' ' ' VAL . . . . . 0.458 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 5.3 p -71.73 142.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 112.041 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -81.93 135.36 35.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.557 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -128.09 104.13 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.486 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 15' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 28.8 pt20 -125.83 138.42 53.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.387 0.613 . . . . 10.0 112.371 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -133.77 120.8 20.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.402 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -111.01 115.96 30.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.488 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 18' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' M' ' 18' ' ' VAL . 7.7 t -125.18 122.45 63.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.031 0.443 . . . . 10.0 111.12 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -119.21 122.81 42.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.308 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 98.1 m-85 -102.18 126.82 49.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.638 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.29 97.77 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -99.35 93.68 6.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 1.0 OUTLIER -87.35 114.53 24.05 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 179.59 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' L' L ' 24' ' ' VAL . . . . . 0.55 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 61.4 t -111.79 -25.45 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.828 0.347 . . . . 10.0 111.185 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -98.61 -118.94 4.04 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.6 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -100.16 95.39 6.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.21 145.03 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.608 0.567 . . . . 10.0 112.152 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 28' ' ' LYS . . . . . 0.777 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 27.6 tttm -136.2 -85.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.007 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 29' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 152.85 123.19 0.96 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.125 -1.035 . . . . 10.0 112.943 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 30' ' ' ALA . . . . . 0.55 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -92.21 159.04 15.83 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.162 -0.31 . . . . 10.0 110.162 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 31' ' ' ILE . . . . . 0.497 ' HB ' HD12 ' K' ' 31' ' ' ILE . 3.6 tp -111.21 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.692 0.758 . . . . 10.0 110.14 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 32' ' ' ILE . . . . . 0.828 HG22 ' HB ' ' M' ' 32' ' ' ILE . 6.0 pt -124.43 135.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.374 -0.83 . . . . 10.0 111.333 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.96 128.14 7.12 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.417 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.33 94.32 5.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 35' ' ' MET . . . . . 0.408 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 3.1 mpp? -114.09 96.93 6.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.479 0.657 . . . . 10.0 111.562 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 36' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' K' ' 36' ' ' VAL . 48.0 t -106.84 128.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 37' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' K' ' 37' ' ' GLY . . . -130.89 132.22 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.286 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.82 135.79 5.88 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.379 -0.915 . . . . 10.0 112.799 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' L' L ' 39' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' M' ' 39' ' ' VAL . 1.5 m -127.24 151.28 33.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 40' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' M' ' 40' ' ' VAL . 9.9 p -153.58 154.03 7.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.378 . . . . 10.0 111.686 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 41' ' ' ILE . . . . . 0.648 HD11 HG12 ' E' ' 31' ' ' ILE . 23.0 mm -72.57 131.49 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.945 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.463 179.538 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' M' M ' 11' ' ' GLU . . . . . 0.848 ' HA ' HG22 ' N' ' 12' ' ' VAL . 1.5 mp0 . . . . . 0 CA--C 1.524 -0.045 0 CA-C-O 121.482 0.658 . . . . 10.0 110.518 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 12' ' ' VAL . . . . . 0.415 HG12 HG12 ' L' ' 12' ' ' VAL . 27.8 m -73.1 131.31 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.769 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -73.43 118.08 15.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.601 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -102.89 110.33 22.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.223 0.535 . . . . 10.0 111.602 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 15' ' ' GLN . . . . . 0.478 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 0.7 OUTLIER -119.01 121.12 39.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.249 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -132.58 125.68 31.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.101 0.477 . . . . 10.0 111.258 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 33.2 mt -120.97 111.03 16.99 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.6 OUTLIER -124.7 126.24 71.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.27 0.557 . . . . 10.0 112.482 -178.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' M' M ' 19' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' M' ' 34' ' ' LEU . 26.7 m-85 -122.28 124.1 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.893 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 49.8 m-85 -106.91 100.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.46 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.11 108.94 20.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.19 132.45 56.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.821 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 143.19 51.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.223 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 24' ' ' VAL . . . . . 0.55 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -138.57 18.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.017 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 25' ' ' GLY . . . . . 0.486 ' O ' ' HA3' ' L' ' 25' ' ' GLY . . . -152.56 -67.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.621 -1.276 . . . . 10.0 114.253 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.9 121.51 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.544 -0.386 . . . . 10.0 110.297 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -84.56 150.96 24.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.142 0.496 . . . . 10.0 111.078 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 28' ' ' LYS . . . . . 0.777 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 2.1 tttt -139.94 -112.9 0.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.057 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 29' ' ' GLY . . . . . 0.55 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . -175.05 112.52 0.41 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.123 -1.037 . . . . 10.0 113.14 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 30' ' ' ALA . . . . . 0.481 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -83.68 154.18 23.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 31' ' ' ILE . . . . . 0.56 HG12 HD11 ' D' ' 41' ' ' ILE . 0.7 OUTLIER -109.57 96.02 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' M' M ' 32' ' ' ILE . . . . . 0.828 ' HB ' HG22 ' L' ' 32' ' ' ILE . 26.4 mt -122.36 126.45 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 10.0 111.095 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.23 114.25 2.44 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.852 -0.689 . . . . 10.0 111.877 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 34' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.0 mp -103.3 106.62 17.18 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 35' ' ' MET . . . . . 0.849 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.0 mmt -118.96 101.36 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.233 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 36' ' ' VAL . . . . . 0.42 HG11 HE22 ' M' ' 15' ' ' GLN . 31.1 t -109.7 117.72 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 37' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -122.85 123.59 5.4 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.529 -0.843 . . . . 10.0 112.741 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.64 128.08 5.61 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' M' M ' 39' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.3 p -117.97 114.06 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.274 0.559 . . . . 10.0 110.576 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' M' M ' 40' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' L' ' 40' ' ' VAL . 26.2 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.196 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.958 0.409 . . . . 10.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' N' N ' 12' ' ' VAL . . . . . 0.975 ' HB ' HG12 ' O' ' 12' ' ' VAL . 6.2 t -102.0 127.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.804 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -97.87 129.95 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.113 0.482 . . . . 10.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -124.32 114.41 19.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.163 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -122.71 114.22 20.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.867 0.365 . . . . 10.0 110.904 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -128.72 116.95 20.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.455 0.645 . . . . 10.0 111.914 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.91 118.13 35.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.174 -0.921 . . . . 10.0 109.405 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 18' ' ' VAL . . . . . 0.834 ' HB ' HG12 ' O' ' 18' ' ' VAL . 5.1 t -121.49 115.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.073 0.463 . . . . 10.0 110.416 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.29 125.41 51.03 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.595 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.26 86.35 2.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -109.48 116.51 31.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.062 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' O' ' 23' ' ' ASP . 43.3 m-20 -116.76 118.66 33.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 24' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' O' ' 24' ' ' VAL . 32.7 m -98.71 9.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.64 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.28 -86.43 1.1 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.728 -0.749 . . . . 10.0 111.603 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.76 102.67 3.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.825 -0.435 . . . . 10.0 109.825 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 27' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' M' ' 28' ' ' LYS . 1.4 m120 -63.32 145.68 55.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.898 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' M' ' 28' ' ' LYS . 0.0 OUTLIER -127.49 -65.5 0.93 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.706 -0.85 . . . . 10.0 108.706 178.618 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' N' N ' 29' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 133.98 120.22 2.06 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 119.962 -1.113 . . . . 10.0 113.538 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 30' ' ' ALA . . . . . 0.486 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -95.47 165.89 12.13 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 31' ' ' ILE . . . . . 0.644 HG12 HG13 ' F' ' 39' ' ' VAL . 12.6 tt -110.99 113.82 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.821 0.82 . . . . 10.0 111.236 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 32' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' M' ' 32' ' ' ILE . 16.6 mt -120.07 122.31 68.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.642 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.44 113.56 3.28 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 111.381 -0.688 . . . . 10.0 111.381 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 34' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.3 mm? -104.62 101.88 11.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 35' ' ' MET . . . . . 0.53 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 1.8 mpt? -118.79 100.32 7.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.194 0.521 . . . . 10.0 111.037 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 t -110.32 130.36 63.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.914 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -134.52 134.28 7.29 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.691 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.11 135.41 7.89 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' N' N ' 39' ' ' VAL . . . . . 0.599 HG13 HG12 ' F' ' 31' ' ' ILE . 46.2 t -125.59 126.62 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 40' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 5.3 p -150.22 131.84 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 41' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' P' ' 42' ' ' ALA . 8.9 pt -80.42 135.29 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.561 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.234 0.54 . . . . 10.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' O' O ' 12' ' ' VAL . . . . . 0.975 HG12 ' HB ' ' N' ' 12' ' ' VAL . 11.0 m -123.67 131.34 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.283 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.42 102.59 15.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.813 -1.18 . . . . 10.0 107.813 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.81 110.44 22.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.12 0.486 . . . . 10.0 112.071 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.98 100.76 10.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -112.27 111.75 22.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.915 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -115.85 118.57 33.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 18' ' ' VAL . . . . . 0.834 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.8 m -130.37 131.53 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.786 0.662 . . . . 10.0 112.786 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -126.49 123.9 38.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.075 -0.966 . . . . 10.0 109.147 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.97 105.44 15.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.901 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.07 119.15 34.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 22' ' ' GLU . . . . . 0.686 ' HG3' ' HB3' ' P' ' 22' ' ' GLU . 1.6 pt-20 -137.69 129.0 27.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.564 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 23' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' P' ' 27' ' ' ASN . 4.7 t70 -112.74 143.08 44.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.991 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 24' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' N' ' 24' ' ' VAL . 24.5 t -119.62 -1.28 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.374 0.607 . . . . 10.0 110.162 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 25' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -127.67 -69.42 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.325 -0.941 . . . . 10.0 113.491 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -157.21 110.84 2.59 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.754 -0.263 . . . . 10.0 110.772 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 27' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 22.2 t-20 -64.07 148.9 48.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.252 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 28' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 56.2 tttp -126.02 -77.5 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.565 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 159.07 114.31 0.38 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.894 -1.146 . . . . 10.0 112.942 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.16 163.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 40.9 mt -109.35 98.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -111.55 115.46 49.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.289 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 33' ' ' GLY . . . . . 0.424 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.6 122.65 5.22 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.323 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.13 107.54 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 35' ' ' MET . . . . . 0.763 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 2.2 mpt? -118.57 103.47 9.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.407 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -113.2 115.63 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.842 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 37' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -129.77 121.55 3.47 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.029 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 139.19 10.52 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.428 -0.892 . . . . 10.0 112.956 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' O' O ' 39' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' N' ' 39' ' ' VAL . 19.5 m -120.4 143.66 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.855 0.36 . . . . 10.0 110.336 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' O' O ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.6 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.808 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 12' ' ' VAL . . . . . 0.557 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -79.77 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -67.52 133.18 49.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -114.93 96.19 5.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -94.21 121.93 36.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.022 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -133.02 113.83 13.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.474 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.0 119.15 33.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.781 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.81 124.44 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.529 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -130.59 137.11 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 10.0 110.841 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -113.79 130.03 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.75 73.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 22' ' ' GLU . . . . . 0.686 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -103.49 151.65 22.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.747 -179.306 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 23' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' P' ' 25' ' ' GLY . 0.4 OUTLIER -144.89 148.2 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.246 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 24' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.4 t -122.48 13.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 10.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 25' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -130.03 -62.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.508 -0.854 . . . . 10.0 112.248 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -159.43 98.19 1.39 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 27' ' ' ASN . . . . . 0.816 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 38.9 t-20 -49.07 119.62 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.826 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' O' ' 28' ' ' LYS . 42.3 tttp -95.33 -87.29 0.28 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.232 0.539 . . . . 10.0 110.31 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.3 1.59 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.904 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.27 176.25 5.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 31' ' ' ILE . . . . . 0.486 HD11 ' HB ' ' H' ' 39' ' ' VAL . 0.0 OUTLIER -103.91 115.68 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.05 0.452 . . . . 10.0 110.581 179.415 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mt -121.5 118.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.375 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' CG1' ' H' ' 39' ' ' VAL . . . -116.32 121.18 5.12 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.589 -0.815 . . . . 10.0 112.816 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 34' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' P' ' 34' ' ' LEU . 2.7 mm? -111.15 87.43 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.361 . . . . 10.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 35' ' ' MET . . . . . 0.612 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 4.7 mpp? -97.54 101.31 12.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.992 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 37.5 t -109.37 122.17 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.834 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 37' ' ' GLY . . . . . 0.438 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -119.3 154.93 16.26 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.318 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.77 132.31 3.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.117 -0.563 . . . . 10.0 111.808 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 39' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' P' ' 40' ' ' VAL . 0.8 OUTLIER -132.41 143.7 39.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.66 0.267 . . . . 10.0 111.613 -179.418 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' P' P ' 40' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' P' ' 39' ' ' VAL . 7.2 p 177.48 164.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.47 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -169.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.159 -0.312 . . . . 10.0 110.159 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 42' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.742 -0.647 . . . . 10.0 109.755 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.783 ' HB2' HG21 ' B' ' 12' ' ' VAL . 4.1 mm-40 . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.702 0.287 . . . . 10.0 110.439 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.34 149.0 11.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.593 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 6.8 t60 -66.89 117.55 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.874 -0.788 . . . . 10.0 108.874 178.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.67 84.97 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.128 0.489 . . . . 10.0 111.461 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HB2' ' CD2' ' A' ' 13' ' ' HIS . 50.4 tp60 -97.13 119.29 35.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -130.18 121.52 26.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.963 0.411 . . . . 10.0 111.565 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' A' ' 34' ' ' LEU . 18.8 mt -121.17 109.8 15.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.56 -0.904 . . . . 10.0 108.56 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.33 130.38 67.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -121.72 120.75 35.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.394 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.06 109.57 19.04 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.003 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -110.0 136.36 49.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.192 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.765 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.8 mm-40 -87.35 167.99 13.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.088 0.471 . . . . 10.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -144.2 94.17 2.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.572 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 43.0 t -132.21 -40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 110.189 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.94 -154.84 30.94 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.421 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.9 OUTLIER -74.26 125.48 28.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.63 -0.137 . . . . 10.0 110.63 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -59.32 149.82 27.8 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 30.8 tptt -150.71 -108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.628 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.479 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 165.01 125.06 0.74 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.368 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.7 153.6 20.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.696 0.284 . . . . 10.0 111.246 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.671 ' HB ' HD13 ' B' ' 31' ' ' ILE . 36.8 mm -103.89 98.34 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.244 0.545 . . . . 10.0 110.145 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' HB ' ' B' ' 32' ' ' ILE . 21.0 pt -111.27 135.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.57 96.65 0.54 Allowed Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.147 -0.781 . . . . 10.0 111.147 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD23 HD13 ' A' ' 17' ' ' LEU . 7.4 mp -92.02 85.81 5.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.503 . . . . 10.0 111.37 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.44 65.62 0.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.518 0.675 . . . . 10.0 110.35 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.45 124.42 39.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.06 123.09 6.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.05 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.52 106.57 0.37 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.365 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.88 140.2 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 10.0 110.944 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' B' ' 40' ' ' VAL . 61.9 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.492 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.818 0.342 . . . . 10.0 110.794 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 11' ' ' GLU . 21.0 t -125.6 129.84 72.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.23 125.54 32.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -121.69 79.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.194 -0.912 . . . . 10.0 108.972 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -97.99 125.04 42.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.713 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -133.01 122.24 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.663 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.492 ' HB2' HD23 ' A' ' 17' ' ' LEU . 7.2 mp -112.51 115.18 28.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.704 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.5 t -119.41 118.9 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.003 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.34 121.36 38.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 10.0 111.617 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.7 125.48 51.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.88 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -134.39 107.62 7.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 mt-10 -88.9 154.51 20.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.701 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.5 m-20 -144.48 58.35 1.32 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 62.4 t -76.54 -25.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.97 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 -62.42 1.3 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.178 -1.01 . . . . 10.0 111.335 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.709 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 21.9 p -166.99 124.02 1.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.701 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 9.7 m120 -61.98 153.02 30.65 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.614 0.571 . . . . 10.0 110.531 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 21.4 tptt -147.74 -111.5 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.714 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.642 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -179.24 105.59 0.2 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.767 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -88.13 156.45 19.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.574 0.226 . . . . 10.0 110.633 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.918 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.0 mm -100.53 101.97 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.475 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -116.2 106.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.748 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.96 115.8 5.4 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.809 -0.71 . . . . 10.0 112.012 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -110.27 90.61 3.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.466 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 1.5 mpt? -121.26 78.98 1.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.328 0.585 . . . . 10.0 111.134 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.691 HG13 ' HB ' ' C' ' 36' ' ' VAL . 44.7 t -96.81 130.84 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.143 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.75 122.45 5.02 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.826 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -136.25 116.69 1.49 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.881 -0.676 . . . . 10.0 111.553 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' C' ' 39' ' ' VAL . 34.8 m -129.41 143.54 40.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.032 0.444 . . . . 10.0 110.688 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' A' ' 40' ' ' VAL . 41.5 t -130.09 140.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.937 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.937 ' HA ' HG13 ' J' ' 31' ' ' ILE . 7.2 tp -62.2 135.38 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.045 0.45 . . . . 10.0 111.094 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.585 179.699 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.728 0.775 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -84.27 120.75 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.994 -1.003 . . . . 10.0 111.762 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -74.35 87.05 2.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.383 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.1 m170 -74.44 112.93 11.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.247 0.546 . . . . 10.0 111.651 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -124.05 100.1 6.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.23 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -110.43 118.17 35.56 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.011 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.464 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 52.5 mt -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.998 -1.112 . . . . 10.0 107.998 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' D' ' 18' ' ' VAL . 9.8 p -131.28 131.73 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 113.075 0.768 . . . . 10.0 113.075 -178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 16.2 m-85 -122.08 129.1 52.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.732 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.37 97.43 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.178 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 112.62 25.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.869 0.366 . . . . 10.0 110.168 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 53.2 mt-10 -103.7 153.79 20.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.053 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.564 ' HB2' HD21 ' D' ' 27' ' ' ASN . 2.6 t70 -146.52 124.89 12.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.832 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' D' ' 24' ' ' VAL . 1.7 m -138.93 19.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.78 -64.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.481 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -170.58 82.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.796 0.298 . . . . 10.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 58.2 t30 -52.29 145.0 11.7 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 69.0 tttt -132.03 -105.87 0.26 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -162.64 107.46 0.31 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.394 -1.384 . . . . 10.0 113.963 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -80.23 147.77 31.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' D' ' 31' ' ' ILE . 0.5 OUTLIER -107.91 92.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.111 0.481 . . . . 10.0 110.217 -179.207 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.822 HG22 ' HB ' ' D' ' 32' ' ' ILE . 15.4 pt -116.3 132.53 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.406 0.622 . . . . 10.0 112.138 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.73 114.47 2.45 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.321 -0.854 . . . . 10.0 111.584 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.463 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.4 mp -106.49 102.54 11.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.79 0.328 . . . . 10.0 110.372 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 2.2 mpt? -124.92 91.84 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 10.0 110.957 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.691 ' HB ' HG13 ' B' ' 36' ' ' VAL . 46.4 t -98.61 123.8 51.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.98 122.04 5.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.703 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . 0.422 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -135.7 124.58 3.34 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.077 -0.582 . . . . 10.0 112.034 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' B' ' 39' ' ' VAL . 4.4 p -130.12 121.16 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.436 0.636 . . . . 10.0 111.023 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' D' ' 42' ' ' ALA . 28.6 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.692 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 4.8 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -104.91 131.22 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 10.0 111.651 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.625 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 5.2 t-160 -86.78 126.83 34.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.56 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.532 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 96.8 m-70 -124.6 98.42 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -109.33 128.89 55.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.141 0.496 . . . . 10.0 111.503 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -131.56 114.98 15.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.053 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -110.84 115.34 29.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.38 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' C' ' 18' ' ' VAL . 11.9 t -124.14 122.75 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.821 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 41.3 m-85 -121.4 126.6 49.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.593 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.49 127.56 53.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.48 98.04 4.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -102.06 90.69 4.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.853 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -84.66 113.54 21.35 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.496 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.8 t -111.25 -30.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.98 -94.12 0.99 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.372 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.443 ' C ' HD22 ' E' ' 27' ' ' ASN . 23.6 m -132.6 103.33 6.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.564 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -56.01 149.66 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.652 -0.704 . . . . 10.0 112.132 -178.54 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 11.2 tttm -141.01 -78.51 0.28 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 10.0 111.114 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 150.91 119.82 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.553 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -99.81 164.31 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.494 0.187 . . . . 10.0 110.746 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.584 HD13 ' HB ' ' C' ' 31' ' ' ILE . 1.8 mm -105.07 115.81 47.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.822 ' HB ' HG22 ' C' ' 32' ' ' ILE . 76.5 mt -131.32 114.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.921 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -109.19 118.46 5.23 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.395 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.463 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.4 mm? -108.09 97.16 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.607 ' HB2' ' HG3' ' E' ' 35' ' ' MET . 1.7 mpt? -118.43 92.45 3.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.374 0.607 . . . . 10.0 111.045 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' C' ' 36' ' ' VAL . 61.8 t -98.08 121.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.783 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.425 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -116.76 118.24 4.1 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.335 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.35 127.63 4.76 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' HA3' ' L' ' 33' ' ' GLY . 11.0 m -133.08 144.69 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.485 HG13 HG13 ' C' ' 40' ' ' VAL . 7.3 p -154.41 140.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.136 0.494 . . . . 10.0 111.985 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.414 HG12 HG23 ' M' ' 31' ' ' ILE . 18.0 mm -75.35 122.28 28.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.16 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . 0.557 ' HB2' HG12 ' C' ' 40' ' ' VAL . . . . . . . . 0 C--O 1.238 0.455 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.206 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.586 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mp0 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.812 0.815 . . . . 10.0 109.785 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' D' ' 14' ' ' HIS . 29.1 m -78.03 145.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.391 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . 0.625 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 5.8 t60 -97.89 91.56 5.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -85.98 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.166 0.507 . . . . 10.0 111.014 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -119.27 105.84 11.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.43 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -119.23 120.99 38.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 10.0 112.049 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -120.76 109.8 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.703 -0.851 . . . . 10.0 108.703 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 t -125.24 128.08 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.113 0.482 . . . . 10.0 111.971 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.412 ' CE1' HD21 ' E' ' 34' ' ' LEU . 22.7 m-85 -123.41 125.63 45.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.92 106.88 17.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.05 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.96 104.2 11.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -113.44 139.52 48.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.578 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.57 145.63 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.648 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.474 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -142.02 20.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.878 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.76 -50.21 0.01 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 119.687 -1.244 . . . . 10.0 114.429 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.84 125.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.033 0.417 . . . . 10.0 110.98 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.443 HD22 ' C ' ' D' ' 26' ' ' SER . 5.2 m-80 -92.37 149.53 21.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.365 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.778 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 59.4 tttt -132.72 -92.38 0.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.23 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . 173.03 106.81 0.2 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.142 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.626 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.98 166.07 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.684 ' HB ' HD12 ' F' ' 31' ' ' ILE . 0.3 OUTLIER -120.48 90.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -113.88 121.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.015 0.436 . . . . 10.0 111.349 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 120.56 4.52 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.762 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.659 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.8 mp -114.07 100.19 8.2 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.607 ' HG3' ' HB2' ' D' ' 35' ' ' MET . 2.7 mpt? -122.16 100.65 7.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.27 0.557 . . . . 10.0 110.773 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.563 HG12 ' HB ' ' F' ' 36' ' ' VAL . 16.2 m -109.8 139.5 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.93 122.65 4.18 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.708 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.67 1.21 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.68 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.542 HG23 ' CG2' ' D' ' 39' ' ' VAL . 13.9 p -107.51 109.8 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.674 . . . . 10.0 110.737 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.235 0.31 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.887 -179.526 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' G' ' 11' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.102 0.477 . . . . 10.0 110.731 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.609 ' HB ' HG12 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -109.54 108.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.561 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -85.84 124.7 32.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.649 0.261 . . . . 10.0 111.225 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -126.0 90.19 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 10.0 110.12 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.474 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 7.1 tt0 -107.44 118.7 37.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.422 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' F' ' 16' ' ' LYS . 19.2 ptmt -131.79 122.23 25.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.529 0.681 . . . . 10.0 111.953 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -116.22 115.35 25.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.111 -0.95 . . . . 10.0 108.875 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.68 ' HB ' HG12 ' G' ' 18' ' ' VAL . 20.4 t -123.44 119.61 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.992 0.425 . . . . 10.0 110.634 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.441 ' HE2' HG21 ' G' ' 32' ' ' ILE . 18.9 m-85 -117.11 126.33 52.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.56 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.82 125.93 49.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.77 84.76 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -108.15 107.57 18.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.926 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.664 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 47.7 m-20 -106.89 124.45 49.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.036 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.454 HG22 ' O ' ' G' ' 23' ' ' ASP . 18.7 m -103.9 -0.9 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.525 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.53 -82.83 1.16 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.382 -0.913 . . . . 10.0 112.388 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -139.97 111.12 7.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -74.11 141.69 45.61 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' G' ' 28' ' ' LYS . 0.3 OUTLIER -122.58 -90.32 0.58 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 166.95 113.27 0.27 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.011 -1.09 . . . . 10.0 112.739 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.458 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -91.54 154.83 18.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.678 -0.489 . . . . 10.0 109.678 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.684 HD12 ' HB ' ' E' ' 31' ' ' ILE . 6.3 tp -100.59 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.621 0.724 . . . . 10.0 109.781 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.458 HG12 HD12 ' G' ' 32' ' ' ILE . 28.1 mt -115.18 123.65 71.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.756 . . . . 10.0 111.243 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.481 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -123.43 116.99 3.07 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.575 -0.61 . . . . 10.0 111.575 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.659 HD23 ' HG ' ' E' ' 34' ' ' LEU . 1.9 mm? -108.41 102.63 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.479 ' HG2' ' CA ' ' N' ' 37' ' ' GLY . 2.0 mpp? -117.37 101.95 8.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 10.0 111.126 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.563 ' HB ' HG12 ' E' ' 36' ' ' VAL . 59.4 t -111.89 124.51 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.831 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' N' ' 35' ' ' MET . . . -123.27 130.92 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.784 -0.722 . . . . 10.0 113.015 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 130.92 6.91 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.923 -0.656 . . . . 10.0 111.885 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.734 ' HB ' HG12 ' G' ' 39' ' ' VAL . 87.7 t -124.86 124.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 7.4 p -148.75 138.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 10.0 111.807 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.59 121.13 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.014 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.011 179.725 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.461 ' C ' HG11 ' H' ' 12' ' ' VAL . 16.1 mm-40 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.194 0.521 . . . . 10.0 110.2 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.609 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.4 m -110.03 131.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -96.92 93.25 6.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.25 98.64 10.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.41 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 1.1 tt0 -106.87 95.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -110.41 117.47 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.8 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.627 HD13 HD23 ' G' ' 34' ' ' LEU . 21.6 mt -123.32 112.42 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.68 HG12 ' HB ' ' F' ' 18' ' ' VAL . 10.7 m -129.06 137.87 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.991 0.737 . . . . 10.0 112.991 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -126.1 128.64 47.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.199 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -109.9 108.42 18.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.518 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.12 121.47 36.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -133.3 129.5 37.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.664 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.1 t70 -101.54 148.66 24.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.723 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' F' ' 24' ' ' VAL . 38.3 t -124.41 -26.95 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 110.775 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -116.75 -64.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.473 -0.87 . . . . 10.0 113.147 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -159.57 116.81 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.903 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 16.7 t-20 -80.39 154.16 27.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 10.0 110.54 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 1.0 OUTLIER -123.58 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.017 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 161.21 119.01 0.5 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.238 -0.982 . . . . 10.0 112.99 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.33 160.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.816 HD12 ' HB ' ' H' ' 31' ' ' ILE . 21.6 mt -97.88 99.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . 0.458 HD12 HG12 ' F' ' 32' ' ' ILE . 65.1 mt -110.32 106.86 21.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.908 0.385 . . . . 10.0 110.45 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.546 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -118.84 112.26 2.29 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.576 -0.821 . . . . 10.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.627 HD23 HD13 ' G' ' 17' ' ' LEU . 8.5 mp -110.4 109.75 20.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.828 0.347 . . . . 10.0 110.278 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.767 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 11.2 mmt -117.21 104.1 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.823 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -115.04 114.53 46.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.497 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.755 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -125.83 126.62 5.9 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.64 -0.791 . . . . 10.0 112.202 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.52 134.15 6.68 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.58 -0.819 . . . . 10.0 112.764 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.734 HG12 ' HB ' ' F' ' 39' ' ' VAL . 32.8 m -121.51 136.88 56.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.76 0.314 . . . . 10.0 110.684 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 2.1 p . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.517 0.198 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.588 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.92 143.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.86 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -63.47 122.44 16.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.61 112.82 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -115.16 126.87 55.12 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.063 0.459 . . . . 10.0 111.335 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -132.94 113.03 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.551 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' G' ' 17' ' ' LEU . 5.0 mp -123.93 111.98 16.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.885 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . 0.441 HG13 HG23 ' G' ' 18' ' ' VAL . 18.0 t -119.83 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.228 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -127.54 132.07 49.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.8 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -110.37 131.98 54.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.19 87.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.867 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 151.85 22.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.769 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.82 155.44 32.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.98 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -134.34 9.88 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.845 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -170.04 -63.4 0.04 OUTLIER Glycine 0 C--N 1.331 0.255 0 C-N-CA 119.87 -1.157 . . . . 10.0 113.666 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -134.05 92.2 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.353 -0.498 . . . . 10.0 111.023 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.903 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 13.7 t-20 -66.03 138.17 57.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.846 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -121.78 -77.1 0.58 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.97 120.21 3.01 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.69 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 172.39 7.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.816 ' HB ' HD12 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -89.48 117.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.147 0.499 . . . . 10.0 111.095 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mt -124.53 109.66 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.946 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.37 122.79 5.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.034 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -112.73 106.95 15.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.705 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.3 mpp? -107.49 104.86 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.857 0.361 . . . . 10.0 110.743 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -105.36 126.09 60.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.251 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.659 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.69 132.93 7.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.341 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.39 134.74 7.33 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.114 -0.565 . . . . 10.0 112.28 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' P' ' 31' ' ' ILE . 2.7 m -131.67 139.2 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.459 0.171 . . . . 10.0 110.714 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.24 162.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 pt -84.99 -173.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.587 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.443 -0.789 . . . . 10.0 110.471 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.759 ' HB2' HG21 ' J' ' 12' ' ' VAL . 3.1 mm-40 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.319 -0.252 . . . . 10.0 110.319 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 t -103.1 146.49 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.822 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.31 112.94 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.561 -0.903 . . . . 10.0 108.561 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -96.21 92.9 6.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.227 0.537 . . . . 10.0 111.665 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -106.4 123.15 47.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.192 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -131.76 124.68 30.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.869 0.366 . . . . 10.0 111.407 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.541 HD13 HD23 ' I' ' 34' ' ' LEU . 25.2 mt -123.13 107.66 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.09 128.66 70.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.96 118.65 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.112 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.33 99.46 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.389 . . . . 10.0 111.341 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.51 129.44 49.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.823 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.816 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 3.8 mm-40 -84.73 173.33 10.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.085 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.494 ' HA ' HD21 ' J' ' 27' ' ' ASN . 39.5 t0 -153.42 90.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.788 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.809 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 47.0 t -123.09 -41.26 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.783 0.325 . . . . 10.0 110.295 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -86.93 -144.77 8.74 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.14 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 2.0 p -83.49 123.85 30.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.925 0.363 . . . . 10.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -57.75 149.92 21.02 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -150.49 -106.03 0.07 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.771 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.84 121.68 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.667 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.725 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.67 163.42 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.718 0.294 . . . . 10.0 111.353 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD13 ' J' ' 31' ' ' ILE . 41.5 mm -111.71 102.51 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 109.794 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . 0.471 HG22 ' HB ' ' J' ' 32' ' ' ILE . 13.1 pt -115.14 123.11 70.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.544 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.42 93.83 0.79 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.424 -0.67 . . . . 10.0 111.424 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.541 HD23 HD13 ' I' ' 17' ' ' LEU . 6.8 mp -90.19 93.14 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.877 0.37 . . . . 10.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.413 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.3 mpt? -123.02 64.88 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' J' ' 36' ' ' VAL . 32.9 t -85.01 123.56 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.5 114.58 3.29 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.156 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 117.02 1.65 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.77 141.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.909 0.385 . . . . 10.0 111.125 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' J' ' 40' ' ' VAL . 57.5 t . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.516 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.147 0.499 . . . . 10.0 110.057 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.759 HG21 ' HB2' ' I' ' 11' ' ' GLU . 10.5 t -128.8 127.94 67.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.18 123.34 29.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -119.94 78.17 1.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -101.25 122.76 44.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.461 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -131.5 121.84 25.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.35 0.595 . . . . 10.0 111.743 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.2 mp -108.61 115.99 31.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.292 -0.867 . . . . 10.0 109.559 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 5.3 t -119.22 117.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.005 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -119.9 121.23 38.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.918 0.389 . . . . 10.0 111.617 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -105.82 126.75 52.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.508 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.63 105.89 6.03 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.816 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.5 mt-10 -88.17 154.99 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.682 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 7.6 m-20 -144.23 60.07 1.35 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.809 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 59.8 t -78.41 -24.76 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 111.087 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.16 -63.85 1.19 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.396 -0.907 . . . . 10.0 111.847 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.412 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 95.0 p -162.15 123.14 2.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.682 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 7.9 m120 -64.01 149.25 47.81 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.899 0.38 . . . . 10.0 110.106 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.656 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 10.9 tptt -144.69 -117.37 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.421 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.725 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -171.89 105.88 0.22 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.173 -1.013 . . . . 10.0 112.636 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -87.18 154.23 20.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.438 0.161 . . . . 10.0 110.574 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.937 HG13 ' HA ' ' B' ' 41' ' ' ILE . 16.6 mm -99.91 102.07 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.471 ' HB ' HG22 ' I' ' 32' ' ' ILE . 23.9 mt -115.96 108.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.604 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.41 113.76 4.76 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.676 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.8 91.6 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.456 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 1.8 mpt? -122.08 81.38 1.82 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.37 0.605 . . . . 10.0 111.049 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.595 HG13 ' HB ' ' K' ' 36' ' ' VAL . 47.2 t -98.57 131.4 45.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.26 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.99 122.29 5.04 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.561 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.77 113.51 1.05 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.827 -0.702 . . . . 10.0 111.799 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' K' ' 39' ' ' VAL . 34.5 m -128.22 144.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.055 0.455 . . . . 10.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' I' ' 40' ' ' VAL . 39.3 t -130.25 141.46 46.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.1 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . 0.918 ' HA ' HG13 ' B' ' 31' ' ' ILE . 7.0 tp -63.11 132.93 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.936 0.398 . . . . 10.0 111.173 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.142 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.381 0.61 . . . . 10.0 110.606 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.01 128.68 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 10.0 112.358 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -84.17 91.46 7.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.151 -0.931 . . . . 10.0 108.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -75.36 109.33 8.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.271 0.558 . . . . 10.0 112.139 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -120.4 98.77 6.21 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -111.18 118.93 37.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.938 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 43.0 mt -119.86 112.22 18.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' L' ' 18' ' ' VAL . 9.1 p -133.51 131.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 15.1 m-85 -121.21 128.63 52.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.754 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -110.1 98.83 8.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.838 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.65 112.66 25.48 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 22.6 mt-10 -105.16 154.47 20.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.209 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.645 ' HB2' HD21 ' L' ' 27' ' ' ASN . 2.7 t70 -147.12 122.68 10.44 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.316 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 5.6 m -136.11 15.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.71 -63.32 0.12 Allowed Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.326 -0.852 . . . . 10.0 112.674 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.4 p -175.94 85.27 0.03 OUTLIER 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.269 -0.271 . . . . 10.0 110.269 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 59.8 t30 -53.44 146.55 12.35 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 31.7 tttt -133.06 -103.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.753 . . . . 10.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -165.21 107.92 0.31 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.356 -1.402 . . . . 10.0 114.13 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -80.6 146.25 31.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.616 ' HB ' HD13 ' L' ' 31' ' ' ILE . 0.4 OUTLIER -106.07 92.0 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.182 0.515 . . . . 10.0 109.983 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.856 HG22 ' HB ' ' L' ' 32' ' ' ILE . 13.1 pt -115.46 131.03 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.346 0.594 . . . . 10.0 112.208 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.43 115.07 2.73 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.534 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.459 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -107.38 102.67 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.879 0.371 . . . . 10.0 110.189 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 35' ' ' MET . . . . . 0.456 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 2.2 mpt? -124.74 91.7 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.273 0.558 . . . . 10.0 110.886 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.595 ' HB ' HG13 ' J' ' 36' ' ' VAL . 49.2 t -98.75 125.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.39 120.69 4.79 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.514 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.72 124.07 3.35 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.076 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' J' ' 39' ' ' VAL . 4.4 p -129.05 120.4 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.354 0.597 . . . . 10.0 111.042 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' L' ' 42' ' ' ALA . 25.7 t . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.726 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.213 0.054 . . . . 10.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 p -112.26 130.23 66.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.843 0.354 . . . . 10.0 110.576 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . 0.489 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 9.5 t-160 -87.58 132.25 34.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.252 0.549 . . . . 10.0 112.283 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -130.38 97.79 4.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.912 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.098 0.475 . . . . 10.0 111.166 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -134.31 114.02 12.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.4 mp -110.7 115.39 29.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.665 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' K' ' 18' ' ' VAL . 8.4 t -123.72 121.4 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.632 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 38.0 m-85 -120.54 124.71 46.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.493 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.38 125.51 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.194 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.49 96.34 4.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -100.62 86.51 3.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.541 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . 0.596 ' HA ' HD21 ' M' ' 27' ' ' ASN . 0.7 OUTLIER -80.22 119.49 23.05 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 80.4 t -120.03 -28.11 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.847 0.356 . . . . 10.0 111.685 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.2 -78.73 1.28 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.324 -0.941 . . . . 10.0 112.825 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -152.47 99.64 2.5 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . 0.645 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -52.88 147.65 8.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 10.0 112.176 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 15.2 tttm -137.98 -79.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.856 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 157.57 117.23 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.058 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -102.95 160.82 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.404 0.145 . . . . 10.0 110.678 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.616 HD13 ' HB ' ' K' ' 31' ' ' ILE . 2.8 mm -103.04 116.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.52 0.512 . . . . 10.0 110.044 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.856 ' HB ' HG22 ' K' ' 32' ' ' ILE . 86.9 mt -131.87 114.22 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.676 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . 0.638 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -109.97 119.43 5.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.488 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.3 mm? -109.3 97.03 6.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 35' ' ' MET . . . . . 0.619 ' HB2' ' HG3' ' M' ' 35' ' ' MET . 1.7 mpt? -117.5 92.45 3.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.297 0.57 . . . . 10.0 110.934 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' K' ' 36' ' ' VAL . 49.3 t -98.63 119.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.613 -0.722 . . . . 10.0 110.024 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -114.94 118.49 4.34 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.242 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.41 128.37 4.84 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' D' ' 33' ' ' GLY . 11.0 m -133.31 146.03 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.602 0.239 . . . . 10.0 110.454 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.451 HG13 HG13 ' K' ' 40' ' ' VAL . 7.1 p -155.67 138.7 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.097 0.475 . . . . 10.0 112.009 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 15.3 mm -74.76 125.37 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.302 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . 0.628 ' HB2' HG12 ' K' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' N' ' 11' ' ' GLU . 8.2 mp0 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.494 0.664 . . . . 10.0 110.049 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.26 144.11 13.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.246 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 3.7 t-160 -103.78 92.88 4.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.15 -1.056 . . . . 10.0 108.15 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.83 114.6 26.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.224 0.535 . . . . 10.0 111.83 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -119.4 102.17 8.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.493 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -112.71 116.98 30.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.064 0.459 . . . . 10.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.401 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 51.1 mt -121.09 111.4 17.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 t -130.08 130.42 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.127 0.489 . . . . 10.0 111.87 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' M' ' 34' ' ' LEU . 19.2 m-85 -124.01 129.08 50.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.775 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -107.82 109.47 21.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.44 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.33 105.66 13.12 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.54 138.43 49.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.528 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.66 147.33 51.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.641 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' N' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 22.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.837 178.388 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.16 -54.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.122 -1.037 . . . . 10.0 113.412 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -168.87 126.59 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.584 0.23 . . . . 10.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . 0.596 HD21 ' HA ' ' L' ' 23' ' ' ASP . 6.5 m120 -90.95 148.12 22.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.831 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 20.5 tttm -130.5 -95.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.067 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . 176.46 107.95 0.22 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.346 -0.93 . . . . 10.0 112.855 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.599 ' HA ' ' CA ' ' N' ' 29' ' ' GLY . . . -85.03 166.98 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD12 ' N' ' 31' ' ' ILE . 0.3 OUTLIER -121.22 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mt -114.25 122.61 68.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.932 0.396 . . . . 10.0 111.224 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.25 120.21 4.25 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.785 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' N' ' 34' ' ' LEU . 5.9 mp -113.47 101.63 9.54 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.619 ' HG3' ' HB2' ' L' ' 35' ' ' MET . 2.7 mpt? -122.91 103.7 8.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.363 0.601 . . . . 10.0 110.738 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . 0.571 HG12 ' HB ' ' N' ' 36' ' ' VAL . 15.6 m -112.49 140.36 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.71 122.38 3.94 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.66 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.5 1.19 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.653 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' L' ' 39' ' ' VAL . 12.2 p -107.94 109.17 27.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 10.0 110.845 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 24.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.119 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' M' ' 11' ' ' GLU . 3.9 tp10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.171 0.51 . . . . 10.0 110.348 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . 0.701 ' HB ' HG12 ' O' ' 12' ' ' VAL . 3.1 t -104.28 109.87 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -86.66 127.68 34.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.732 0.301 . . . . 10.0 111.448 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.78 91.06 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' O' ' 15' ' ' GLN . 6.5 tt0 -106.46 119.4 39.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.347 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -133.64 121.69 22.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.397 0.618 . . . . 10.0 111.801 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.9 mp -116.0 114.25 24.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.036 -0.984 . . . . 10.0 108.892 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . 0.713 ' HB ' HG12 ' O' ' 18' ' ' VAL . 16.2 t -121.71 115.69 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.644 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' O' ' 32' ' ' ILE . 18.1 m-85 -114.05 128.09 56.23 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.47 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -105.67 130.75 53.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.694 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.66 88.79 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.64 107.17 17.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.094 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . 0.872 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 42.2 m-20 -105.54 118.89 37.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.249 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.753 ' HA ' HG23 ' M' ' 24' ' ' VAL . 33.7 m -101.14 -5.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.0 -78.79 1.12 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.342 -0.933 . . . . 10.0 111.907 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.36 113.98 6.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 3.2 m120 -73.91 144.33 45.39 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' O' ' 28' ' ' LYS . 0.2 OUTLIER -124.98 -96.83 0.44 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.012 -0.275 . . . . 10.0 110.642 178.538 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' M' ' 30' ' ' ALA . . . 175.96 107.39 0.21 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.258 -0.972 . . . . 10.0 112.965 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . 0.548 ' HA ' ' CA ' ' O' ' 29' ' ' GLY . . . -90.09 153.22 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.725 HD12 ' HB ' ' M' ' 31' ' ' ILE . 5.6 tp -101.26 102.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 10.0 110.401 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.429 HG12 HD12 ' O' ' 32' ' ' ILE . 29.2 mt -117.5 124.59 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.126 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . 0.452 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -125.38 117.52 2.98 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.514 -0.634 . . . . 10.0 111.514 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.649 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -109.06 103.8 12.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.463 ' HG2' ' CA ' ' F' ' 37' ' ' GLY . 2.1 mpp? -117.59 102.88 9.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.097 0.475 . . . . 10.0 111.24 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . 0.571 ' HB ' HG12 ' M' ' 36' ' ' VAL . 54.3 t -112.57 125.47 69.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.978 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' F' ' 35' ' ' MET . . . -124.95 130.82 7.54 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.767 -0.73 . . . . 10.0 113.111 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.18 131.84 7.36 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.899 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' O' ' 39' ' ' VAL . 85.1 t -125.29 123.79 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 7.6 p -150.19 138.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 10.0 111.513 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . 0.417 ' H ' HG13 ' N' ' 41' ' ' ILE . 3.2 mt -72.55 126.79 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.775 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.173 0.511 . . . . 10.0 110.788 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . 0.701 HG12 ' HB ' ' N' ' 12' ' ' VAL . 7.5 m -117.18 132.7 66.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.475 0.655 . . . . 10.0 112.643 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -97.4 95.67 7.83 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . 0.479 ' HB2' ' ND1' ' P' ' 14' ' ' HIS . 23.7 m170 -84.65 99.51 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.177 0.513 . . . . 10.0 112.209 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' HA ' ' N' ' 15' ' ' GLN . 4.1 tp60 -104.91 95.26 5.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -113.16 114.37 26.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 10.0 111.746 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . 0.634 HD13 HD23 ' O' ' 34' ' ' LEU . 20.2 mt -121.98 116.4 24.25 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.713 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.9 m -132.75 137.49 53.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.097 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -111.18 101.99 10.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -108.38 119.44 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -124.26 130.33 52.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . 0.872 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 3.9 t70 -108.15 148.44 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.334 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 14.5 t -130.43 -29.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.348 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -117.36 -64.92 0.33 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.215 -0.993 . . . . 10.0 113.172 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -156.42 112.79 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . 0.88 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 18.9 t-20 -77.0 154.31 33.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 10.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 57.2 tttp -123.63 -89.41 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.051 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . 0.548 ' CA ' ' HA ' ' N' ' 30' ' ' ALA . . . 172.89 110.46 0.24 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.148 -1.025 . . . . 10.0 112.748 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.88 159.14 17.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.621 0.248 . . . . 10.0 110.562 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 0.902 HD12 ' HB ' ' P' ' 31' ' ' ILE . 16.0 mt -97.79 99.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . 0.444 HG21 ' HE2' ' N' ' 19' ' ' PHE . 69.3 mt -110.52 108.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.841 0.353 . . . . 10.0 110.404 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . 0.534 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.03 114.35 2.58 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.214 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . 0.634 HD23 HD13 ' O' ' 17' ' ' LEU . 8.9 mp -112.14 111.17 21.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.129 -0.323 . . . . 10.0 110.129 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.755 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 10.8 mmt -117.74 103.66 10.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.849 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 t -114.21 115.23 49.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.234 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . 0.767 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -126.86 124.66 5.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.54 134.7 7.14 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.305 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.786 HG12 ' HB ' ' N' ' 39' ' ' VAL . 32.1 m -121.93 139.75 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.941 0.401 . . . . 10.0 111.052 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.232 0.158 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . 0.593 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -77.22 141.2 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.545 179.217 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -60.78 120.02 9.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . 0.479 ' ND1' ' HB2' ' O' ' 14' ' ' HIS . 88.9 m-70 -117.91 111.08 18.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -114.93 127.42 55.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 10.0 111.183 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -134.57 115.71 14.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.25 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.84 119.96 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.973 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . 0.439 HG13 HG23 ' O' ' 18' ' ' VAL . 12.1 t -126.36 123.33 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.613 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -125.32 130.45 52.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.882 0.372 . . . . 10.0 110.844 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -108.46 136.68 47.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.998 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -147.7 94.02 2.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.89 152.01 27.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.073 0.463 . . . . 10.0 111.428 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -123.31 155.88 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.602 -0.727 . . . . 10.0 109.838 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.0 OUTLIER -137.81 12.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.674 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -167.0 -67.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.934 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -133.2 97.93 4.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.775 0.322 . . . . 10.0 110.299 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.88 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 9.0 t-20 -68.87 141.82 54.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.716 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -126.76 -75.29 0.58 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.169 0.509 . . . . 10.0 109.872 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.76 128.41 3.98 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.923 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.91 172.24 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.902 ' HB ' HD12 ' O' ' 31' ' ' ILE . 0.0 OUTLIER -91.53 112.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.137 0.494 . . . . 10.0 110.612 179.432 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mt -120.54 109.68 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.42 118.96 4.28 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.86 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.44 108.32 18.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.877 0.37 . . . . 10.0 110.238 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.659 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 3.7 mpp? -108.07 105.54 15.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.806 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -106.11 129.61 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.828 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . 0.705 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -136.19 134.97 7.48 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.694 -0.765 . . . . 10.0 112.472 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.81 136.99 8.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.919 -0.658 . . . . 10.0 111.989 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.528 ' HB ' HD11 ' H' ' 31' ' ' ILE . 2.8 m -130.32 138.81 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.519 0.2 . . . . 10.0 110.843 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.88 160.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 pt -89.06 -175.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.633 0.254 . . . . 10.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.207 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.24 158.85 7.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.397 . . . . 10.0 111.699 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.82 115.54 17.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 24.7 m170 -99.04 94.28 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 10.0 110.729 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' B' ' 15' ' ' GLN . 58.4 tp60 -105.38 123.86 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.714 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -140.04 131.55 27.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 10.0 111.961 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 17' ' ' LEU . 2.1 mt -126.3 104.07 8.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.425 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -115.52 121.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.455 0.645 . . . . 10.0 112.548 -178.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -115.77 114.63 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.316 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.41 114.25 27.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.798 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.5 136.48 51.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.59 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.8 mm-40 -83.41 173.94 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.571 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.67 ' HA ' HD21 ' B' ' 27' ' ' ASN . 36.2 t70 -156.79 77.45 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.074 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.723 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 23.8 t -109.92 -42.16 5.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.966 0.412 . . . . 10.0 110.465 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.61 -154.02 29.7 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.841 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 116.77 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 148.13 38.46 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 9.9 tptm -153.17 -146.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.006 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.42 127.18 2.05 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 119.927 -1.13 . . . . 10.0 113.346 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -81.64 150.42 28.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 10.0 110.727 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG12 ' B' ' 31' ' ' ILE . 21.2 mm -100.81 92.37 2.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.267 0.556 . . . . 10.0 110.025 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.639 HG22 ' HB ' ' B' ' 32' ' ' ILE . 15.7 pt -110.21 130.12 64.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.478 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.55 95.92 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' B' ' 34' ' ' LEU . 6.3 mp -91.79 101.75 14.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.319 . . . . 10.0 110.96 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -126.39 75.89 1.57 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.189 0.519 . . . . 10.0 110.474 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -83.67 114.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.197 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.56 118.66 5.87 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.48 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.06 119.44 1.72 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.542 -1.023 . . . . 10.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.58 130.79 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.562 0.696 . . . . 10.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' B' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.168 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.96 0.409 . . . . 10.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.782 ' HB ' HG12 ' C' ' 12' ' ' VAL . 3.9 t -106.41 119.51 55.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.294 -0.412 . . . . 10.0 109.894 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.5 122.58 30.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.967 0.413 . . . . 10.0 110.942 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.455 ' HD2' ' HB ' ' C' ' 12' ' ' VAL . 70.7 m-70 -124.2 84.63 2.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.619 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' C' ' 15' ' ' GLN . 9.1 tt0 -107.51 125.73 51.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.15 0.5 . . . . 10.0 111.437 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -135.1 123.04 22.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.354 0.597 . . . . 10.0 111.407 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 7.3 mp -110.67 116.18 30.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.153 -0.931 . . . . 10.0 109.154 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.3 t -117.39 122.23 69.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.351 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -122.69 118.22 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.34 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -106.89 115.95 31.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.823 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.17 114.92 20.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 62.7 mt-10 -89.9 158.88 17.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.782 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 5.9 m-20 -147.99 56.83 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.723 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 27.6 t -78.6 -20.37 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.117 0.485 . . . . 10.0 111.266 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.54 -64.26 1.01 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.264 -0.97 . . . . 10.0 111.484 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.422 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 68.9 p -167.29 119.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.67 HD21 ' HA ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -61.36 152.1 30.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.315 0.384 . . . . 10.0 110.175 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.712 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -144.76 -95.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 121.067 -0.253 . . . . 10.0 111.673 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 171.43 95.55 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 119.716 -1.23 . . . . 10.0 113.007 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.63 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -83.4 147.35 27.93 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.759 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -96.72 116.79 39.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.879 0.847 . . . . 10.0 109.817 179.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 32' ' ' ILE . 37.8 mt -129.26 119.33 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.209 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.19 120.6 6.22 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 1.9 mm? -115.02 86.79 2.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.514 ' HG2' ' HA2' ' J' ' 37' ' ' GLY . 2.1 mpt? -116.2 88.69 2.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.395 0.617 . . . . 10.0 111.484 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 t -91.6 135.29 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.292 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.539 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.45 103.19 0.96 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.85 -0.691 . . . . 10.0 112.782 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.17 102.85 1.5 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.506 ' HB ' HG23 ' C' ' 39' ' ' VAL . 3.9 t -111.89 116.75 53.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.567 0.222 . . . . 10.0 110.494 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 40' ' ' VAL . 46.0 t -125.92 132.04 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.586 0.232 . . . . 10.0 110.514 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.54 136.68 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.86 0.362 . . . . 10.0 110.493 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.032 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.671 0.748 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.782 HG12 ' HB ' ' B' ' 12' ' ' VAL . 7.3 m -91.11 115.62 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.907 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -75.15 98.41 3.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.482 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.434 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.2 m170 -89.26 104.57 17.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.283 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HB3' ' HG3' ' B' ' 15' ' ' GLN . 5.6 tt0 -114.35 103.18 10.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.305 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -114.22 119.71 37.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.924 0.392 . . . . 10.0 111.87 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.555 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 48.9 mt -120.5 112.71 19.29 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.359 -0.978 . . . . 10.0 108.359 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.689 HG13 HG13 ' D' ' 18' ' ' VAL . 7.1 p -132.24 130.97 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.505 0.669 . . . . 10.0 112.61 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.588 ' HE2' HD11 ' D' ' 32' ' ' ILE . 11.1 m-85 -119.98 127.91 53.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.145 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -108.31 113.01 25.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.696 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.66 113.7 20.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 10.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 51.5 mt-10 -103.33 151.91 22.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.218 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.435 ' HB2' HD21 ' D' ' 27' ' ' ASN . 4.4 t0 -141.03 114.93 9.08 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.362 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.0 7.55 4.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -129.4 -62.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.896 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.2 p -172.75 92.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.721 0.261 . . . . 10.0 110.898 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -55.68 143.94 28.72 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.494 0.496 . . . . 10.0 111.648 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.712 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 32.8 ttmt -128.59 -105.12 0.31 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.63 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -166.45 109.94 0.38 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.245 -0.979 . . . . 10.0 113.129 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.577 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -83.85 164.77 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' D' ' 31' ' ' ILE . 1.7 mt -120.65 88.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.568 HG22 HG12 ' D' ' 32' ' ' ILE . 23.9 pt -115.58 127.24 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.08 0.466 . . . . 10.0 111.853 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.52 115.68 3.0 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.723 -0.751 . . . . 10.0 111.947 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.506 HD23 HD13 ' C' ' 17' ' ' LEU . 6.7 mp -105.96 103.67 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.422 . . . . 10.0 110.482 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.4 mpp? -123.86 89.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.023 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' D' ' 36' ' ' VAL . 40.1 t -98.17 113.16 32.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.01 119.96 5.2 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.669 -0.776 . . . . 10.0 112.891 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.1 120.79 3.01 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' B' ' 39' ' ' VAL . 13.4 p -117.75 119.75 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.494 0.664 . . . . 10.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.678 -179.312 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.384 0.135 . . . . 10.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.51 134.36 25.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.723 0.297 . . . . 10.0 111.033 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 1.0 OUTLIER -84.38 130.86 34.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 71.7 m-70 -132.72 89.99 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.075 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 25.4 pt20 -113.05 137.1 51.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.596 0.712 . . . . 10.0 112.451 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -138.12 119.61 14.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.741 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 mp -112.64 118.15 34.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' E' ' 18' ' ' VAL . 7.6 t -123.84 125.41 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.026 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.77 124.45 47.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.329 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.72 122.97 46.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.086 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.32 105.05 8.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -108.16 79.95 1.31 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.423 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.6 OUTLIER -75.53 114.81 14.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.63 -19.97 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.137 0.494 . . . . 10.0 111.209 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -95.53 -83.03 1.63 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.437 -0.887 . . . . 10.0 112.615 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . 0.435 ' C ' HD22 ' E' ' 27' ' ' ASN . 41.9 m -144.16 100.14 3.5 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.435 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.8 OUTLIER -52.21 148.94 5.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.291 -178.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.863 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 58.8 tttm -138.82 -81.46 0.31 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.649 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.577 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 149.97 113.99 0.67 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.921 -1.133 . . . . 10.0 113.724 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.715 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -82.47 158.49 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.795 HG12 ' HB ' ' C' ' 31' ' ' ILE . 0.1 OUTLIER -116.57 103.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 122.128 0.966 . . . . 10.0 110.119 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.588 HD11 ' HE2' ' C' ' 19' ' ' PHE . 45.7 pt -129.92 147.13 33.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.687 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' L' ' 39' ' ' VAL . . . -125.43 125.63 5.67 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.335 -0.848 . . . . 10.0 111.832 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -105.88 95.6 5.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.599 ' HG2' ' HA2' ' L' ' 37' ' ' GLY . 2.7 mpt? -116.39 104.45 11.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.172 0.51 . . . . 10.0 111.489 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' C' ' 36' ' ' VAL . 26.9 t -106.51 128.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.276 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.544 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -119.1 115.68 3.13 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.713 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.25 125.77 6.18 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.11 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' E' ' 39' ' ' VAL . 58.8 t -128.8 125.35 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -146.56 136.21 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.949 0.405 . . . . 10.0 111.928 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.414 ' HB ' HG21 ' L' ' 31' ' ' ILE . 0.0 OUTLIER -83.89 135.42 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.413 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.246 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.66 ' HG3' ' HG2' ' F' ' 11' ' ' GLU . 1.7 mp0 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.53 0.681 . . . . 10.0 110.542 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -74.73 141.6 15.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.121 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 3.4 t60 -95.9 88.81 5.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.289 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -81.75 115.27 20.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.747 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 45.3 tt0 -132.0 106.34 7.97 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.967 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -126.91 126.89 44.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.085 0.469 . . . . 10.0 111.915 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.691 HD22 HD23 ' E' ' 34' ' ' LEU . 4.2 mp -125.45 118.76 26.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -128.83 128.67 67.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.137 0.494 . . . . 10.0 112.075 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.47 124.57 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.316 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -106.28 114.12 28.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.001 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 106.48 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -110.88 132.74 53.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.283 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.68 145.13 48.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.756 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -138.32 5.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.064 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' F' ' 25' ' ' GLY . . . -137.86 -64.05 0.05 OUTLIER Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.014 -1.088 . . . . 10.0 113.777 -177.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -157.76 130.53 7.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.435 HD22 ' C ' ' D' ' 26' ' ' SER . 5.3 m-80 -91.76 149.4 21.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.964 0.412 . . . . 10.0 111.45 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.863 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 58.0 mttt -130.2 -105.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.286 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -170.93 109.35 0.31 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.037 -1.078 . . . . 10.0 113.05 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.508 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -81.55 150.09 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' F' ' 31' ' ' ILE . 1.1 mt -110.87 94.55 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB ' ' F' ' 32' ' ' ILE . 21.3 mt -120.2 127.15 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.957 0.408 . . . . 10.0 111.107 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.39 113.85 2.81 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.047 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.691 HD23 HD22 ' E' ' 17' ' ' LEU . 7.0 mp -102.61 102.79 13.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.778 ' HG3' ' HG3' ' F' ' 35' ' ' MET . 0.0 OUTLIER -126.12 91.02 3.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.496 0.665 . . . . 10.0 111.152 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.543 HG12 ' HB ' ' F' ' 36' ' ' VAL . 4.0 m -106.01 130.48 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.084 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' SD ' ' M' ' 35' ' ' MET . . . -131.1 136.87 9.07 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.307 -0.949 . . . . 10.0 113.035 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.06 126.6 3.58 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.99 -0.624 . . . . 10.0 111.647 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.456 HG23 ' HB ' ' D' ' 39' ' ' VAL . 11.7 p -120.13 117.28 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.413 0.625 . . . . 10.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' F' ' 42' ' ' ALA . 22.1 t . . . . . 0 C--O 1.236 0.393 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.564 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.66 ' HG2' ' HG3' ' E' ' 11' ' ' GLU . 3.7 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.013 0.435 . . . . 10.0 110.155 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.907 ' HB ' HG12 ' G' ' 12' ' ' VAL . 14.2 t -92.29 103.49 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -77.04 127.23 32.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.82 0.343 . . . . 10.0 111.443 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -125.86 89.5 3.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.758 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.41 116.14 31.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.99 0.424 . . . . 10.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -132.24 121.17 23.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.267 0.556 . . . . 10.0 111.997 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.41 116.18 27.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.208 -0.905 . . . . 10.0 109.22 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.857 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.9 t -121.15 120.87 63.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.818 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -120.85 123.25 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.37 131.13 52.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.29 90.15 2.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 10.0 109.838 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.63 105.99 15.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.909 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 16.8 m-20 -106.79 117.3 33.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.709 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' G' ' 24' ' ' VAL . 27.8 m -100.88 15.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 10.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' E' ' 25' ' ' GLY . . . -122.57 -87.43 0.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.318 -0.713 . . . . 10.0 111.318 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -144.16 100.05 3.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 1.2 m120 -62.66 128.47 36.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.789 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.59 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 0.3 OUTLIER -109.7 -61.71 1.6 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.467 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 133.04 120.73 2.15 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.356 -0.926 . . . . 10.0 113.043 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -95.39 165.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.604 HG12 HG13 ' N' ' 39' ' ' VAL . 8.7 tt -112.84 112.27 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.648 0.737 . . . . 10.0 111.249 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.615 ' HB ' HG23 ' E' ' 32' ' ' ILE . 19.4 mt -119.86 126.82 75.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.307 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.99 2.67 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.782 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -101.37 98.19 8.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.811 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 2.1 mpt? -117.41 93.41 4.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.907 0.384 . . . . 10.0 110.836 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.543 ' HB ' HG12 ' E' ' 36' ' ' VAL . 44.3 t -110.65 130.11 64.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.743 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -132.44 135.07 7.91 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.61 -0.805 . . . . 10.0 113.057 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.45 132.4 6.76 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.013 -0.613 . . . . 10.0 112.06 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.591 ' HB ' HG12 ' G' ' 39' ' ' VAL . 40.2 t -123.48 131.03 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.3 p -153.06 132.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 10.0 111.869 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.421 HG23 HG12 ' O' ' 31' ' ' ILE . 7.5 pt -72.57 139.42 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.715 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.55 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . 0.406 ' C ' HG11 ' H' ' 12' ' ' VAL . 14.7 mm-40 . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.027 0.441 . . . . 10.0 110.264 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.907 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.6 m -116.93 134.7 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.458 0.647 . . . . 10.0 112.532 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -96.27 93.21 6.76 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -84.77 104.74 15.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.131 0.491 . . . . 10.0 111.508 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -113.22 94.19 4.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -111.33 117.87 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.623 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 mt -120.88 116.4 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.9 m -129.31 131.83 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.05 123.6 38.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.402 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -105.32 114.92 29.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.02 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -118.15 126.59 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.024 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -130.11 140.47 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.125 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.456 ' O ' HG22 ' F' ' 24' ' ' VAL . 6.4 t70 -130.42 132.26 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' F' ' 24' ' ' VAL . 26.7 t -120.2 1.4 7.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.352 0.596 . . . . 10.0 109.98 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.44 -69.39 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.044 -1.074 . . . . 10.0 113.327 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -153.78 103.18 2.58 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.468 -0.431 . . . . 10.0 110.939 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.756 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 19.7 t-20 -58.53 142.28 49.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -123.31 -59.68 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.095 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 123.64 123.54 2.82 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.99 -1.1 . . . . 10.0 112.775 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -102.01 172.17 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.622 0.249 . . . . 10.0 110.854 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.455 HG12 HG23 ' N' ' 41' ' ' ILE . 16.3 mt -103.72 101.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 108.573 -0.899 . . . . 10.0 108.573 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mt -113.11 112.63 41.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.762 0.315 . . . . 10.0 110.442 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -117.02 123.5 5.82 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.461 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -121.94 104.65 9.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.694 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 0.0 OUTLIER -121.62 106.45 11.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.47 0.653 . . . . 10.0 111.047 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' H' ' 36' ' ' VAL . 45.8 t -114.38 124.44 71.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.09 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.917 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -132.69 123.62 3.57 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.27 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.26 135.2 7.32 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.55 -0.833 . . . . 10.0 112.468 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.591 HG12 ' HB ' ' F' ' 39' ' ' VAL . 14.9 m -119.11 138.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.852 0.358 . . . . 10.0 110.56 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.064 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.15 138.33 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.757 0.313 . . . . 10.0 110.925 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.42 125.21 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -118.77 108.0 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.873 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -111.61 130.62 55.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.383 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -137.99 111.26 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.422 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.426 HD23 ' HG ' ' H' ' 34' ' ' LEU . 7.3 mp -117.7 116.31 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.08 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -122.86 128.24 75.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.369 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -130.93 137.44 49.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.529 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -116.06 112.19 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 10.0 111.935 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -118.07 82.47 1.84 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -102.93 154.73 18.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.013 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -140.81 149.29 41.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.901 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -130.91 10.06 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.776 0.322 . . . . 10.0 110.59 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.96 -56.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.417 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -156.81 102.75 2.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.749 0.275 . . . . 10.0 110.62 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.756 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 27.4 t-20 -53.86 135.72 41.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.755 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 32.5 tttp -116.42 -158.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.756 0.312 . . . . 10.0 110.708 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.755 ' H ' ' HG2' ' H' ' 28' ' ' LYS . . . -135.13 98.61 0.3 Allowed Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 121.14 -0.552 . . . . 10.0 111.897 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.41 156.51 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.94 116.17 46.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 10.0 111.108 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 38.3 mt -127.47 121.75 57.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.876 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.16 123.94 4.58 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.404 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' H' ' 17' ' ' LEU . 2.7 mm? -113.19 102.44 10.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.398 . . . . 10.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.625 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 1.7 mpt? -105.54 104.46 14.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.144 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' G' ' 36' ' ' VAL . 48.8 t -109.18 127.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.95 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' P' ' 35' ' ' MET . . . -137.0 151.35 20.96 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.493 -0.861 . . . . 10.0 112.953 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.38 132.79 2.96 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.891 -0.484 . . . . 10.0 111.891 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.533 HG11 ' HA3' ' P' ' 33' ' ' GLY . 34.8 m -125.05 129.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 10.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 13.7 p -159.13 154.4 4.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.581 0.229 . . . . 10.0 110.698 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 31.2 pt -81.32 169.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.371 . . . . 10.0 110.918 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.659 -0.686 . . . . 10.0 109.952 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.689 0.281 . . . . 10.0 110.641 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -102.37 155.87 4.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.194 0.521 . . . . 10.0 111.628 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -80.81 106.62 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.137 -1.06 . . . . 10.0 108.137 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . 0.449 ' HB2' ' ND1' ' J' ' 14' ' ' HIS . 52.1 m170 -90.11 79.17 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.087 0.47 . . . . 10.0 112.027 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.471 ' OE1' ' HB3' ' J' ' 15' ' ' GLN . 61.9 tp60 -87.7 122.92 31.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.414 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -136.9 130.38 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.977 0.418 . . . . 10.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' J' ' 17' ' ' LEU . 8.0 mt -125.44 106.75 10.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.42 HG23 HG13 ' J' ' 18' ' ' VAL . 0.8 OUTLIER -117.98 120.35 64.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -178.666 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.91 117.95 32.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.596 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -112.78 113.46 25.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.949 0.404 . . . . 10.0 111.002 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.01 134.9 54.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.688 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 2.4 mt-10 -85.84 176.36 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.91 0.386 . . . . 10.0 110.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . 0.621 ' HA ' HD21 ' J' ' 27' ' ' ASN . 32.0 t70 -156.02 78.14 0.96 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.61 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.786 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.0 t -109.33 -40.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.864 0.364 . . . . 10.0 110.442 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -92.05 -147.68 21.06 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.082 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.95 116.06 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.96 150.08 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.376 0.51 . . . . 10.0 112.376 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -164.95 -167.91 1.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.457 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.52 132.74 6.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.678 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.756 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.37 147.75 26.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.703 0.287 . . . . 10.0 110.383 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.507 ' HB ' HG12 ' J' ' 31' ' ' ILE . 27.2 mm -96.82 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.17 0.509 . . . . 10.0 110.121 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . 0.578 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.5 pt -110.53 131.98 60.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.429 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 100.08 0.83 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.174 -0.77 . . . . 10.0 111.174 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.494 HD23 HD13 ' I' ' 17' ' ' LEU . 6.0 mp -96.3 99.17 10.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 10.0 111.101 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -124.05 79.26 1.71 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.194 0.521 . . . . 10.0 110.471 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' J' ' 36' ' ' VAL . 40.1 t -86.59 114.89 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.889 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.53 111.13 3.35 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.362 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.23 112.98 1.36 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.751 -0.94 . . . . 10.0 110.751 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.98 131.17 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.46 0.647 . . . . 10.0 111.983 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' J' ' 40' ' ' VAL . 59.5 t . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.294 -0.866 . . . . 10.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.983 0.421 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.745 ' HB ' HG12 ' K' ' 12' ' ' VAL . 3.9 t -116.83 122.26 69.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.724 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -90.18 121.43 32.2 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.024 0.44 . . . . 10.0 111.203 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . 0.449 ' ND1' ' HB2' ' I' ' 14' ' ' HIS . 64.5 m-70 -124.31 84.7 2.31 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.471 ' HB3' ' OE1' ' I' ' 15' ' ' GLN . 9.1 tt0 -103.35 123.89 47.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 10.0 111.71 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -129.54 123.6 31.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.505 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.3 mp -112.76 117.26 31.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.293 179.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.0 t -119.03 122.97 70.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.4 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -123.05 116.79 24.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.901 0.382 . . . . 10.0 111.25 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.98 114.09 28.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.052 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.2 115.36 21.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' HG3' ' I' ' 22' ' ' GLU . 58.4 mt-10 -95.71 156.08 16.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.586 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.0 m-20 -143.91 59.07 1.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.786 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 41.4 t -77.36 -21.89 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 10.0 111.183 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.68 -63.28 1.11 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.151 -1.023 . . . . 10.0 111.223 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.7 p -169.17 124.16 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.621 HD21 ' HA ' ' I' ' 23' ' ' ASP . 0.8 OUTLIER -64.62 154.17 37.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.37 0.419 . . . . 10.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 8.5 tptt -145.82 -91.18 0.1 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.133 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.756 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.47 93.19 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 119.915 -1.136 . . . . 10.0 112.862 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.685 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -81.41 148.58 29.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' K' ' 31' ' ' ILE . 0.4 OUTLIER -97.69 117.16 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.723 0.773 . . . . 10.0 109.774 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.578 ' HB ' HG22 ' I' ' 32' ' ' ILE . 35.2 mt -129.19 119.83 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.865 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -108.45 118.72 5.45 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' I' ' 34' ' ' LEU . 1.8 mm? -112.92 88.22 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.539 ' HG2' ' HA2' ' B' ' 37' ' ' GLY . 2.2 mpt? -116.14 88.64 2.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.448 0.642 . . . . 10.0 111.275 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.4 ' HB ' HG13 ' I' ' 36' ' ' VAL . 40.5 t -92.62 133.04 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.572 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . 0.514 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.48 105.17 1.18 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.768 -0.73 . . . . 10.0 112.575 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.46 105.74 1.78 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.082 -0.807 . . . . 10.0 111.082 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.451 HG12 HG23 ' B' ' 31' ' ' ILE . 2.6 t -113.15 116.23 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.748 0.309 . . . . 10.0 110.708 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.524 ' HB ' HG22 ' I' ' 40' ' ' VAL . 46.4 t -125.37 128.58 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.622 0.248 . . . . 10.0 110.534 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' B' ' 31' ' ' ILE . 8.1 tp -66.85 127.76 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.159 0.504 . . . . 10.0 111.437 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.408 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.593 0.711 . . . . 10.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . 0.745 HG12 ' HB ' ' J' ' 12' ' ' VAL . 14.4 m -92.35 119.61 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.961 -1.018 . . . . 10.0 111.672 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.07 93.94 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.343 -0.844 . . . . 10.0 108.999 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . 0.52 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 0.2 OUTLIER -85.88 96.04 9.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.143 0.497 . . . . 10.0 111.333 -179.684 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -104.9 106.64 17.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.116 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 88.5 tttt -117.18 122.54 44.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.038 0.447 . . . . 10.0 112.189 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 41.8 mt -122.38 113.89 20.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . 0.699 HG13 HG13 ' L' ' 18' ' ' VAL . 7.6 p -133.37 132.32 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.504 0.669 . . . . 10.0 112.563 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . 0.513 ' HE2' HD11 ' L' ' 32' ' ' ILE . 10.9 m-85 -121.17 128.27 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.23 107.22 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.27 32.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 28.2 mt-10 -110.53 149.26 30.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.043 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' J' ' 24' ' ' VAL . 4.2 t0 -137.14 116.91 13.07 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.405 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.98 15.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.27 -58.78 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.47 -0.871 . . . . 10.0 112.781 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.09 95.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.405 0.282 . . . . 10.0 110.671 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.55 149.62 25.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.973 0.416 . . . . 10.0 111.632 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.725 ' HD2' ' HA ' ' L' ' 28' ' ' LYS . 31.1 ttmt -133.51 -111.5 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.169 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -160.91 106.95 0.3 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.081 -1.057 . . . . 10.0 113.203 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . 0.593 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.3 162.12 22.38 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.757 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.0 OUTLIER -117.83 87.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 179.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.533 HG22 HG12 ' L' ' 32' ' ' ILE . 25.9 pt -113.71 126.16 71.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 10.0 111.789 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.83 117.3 3.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 10.0 112.045 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.498 HD23 HD13 ' K' ' 17' ' ' LEU . 6.6 mp -108.64 102.23 11.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.82 0.343 . . . . 10.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 35' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.5 mpp? -121.82 87.98 2.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.323 0.582 . . . . 10.0 111.144 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' L' ' 36' ' ' VAL . 41.7 t -96.33 114.96 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.499 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.01 124.26 6.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.466 -0.873 . . . . 10.0 113.004 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.62 123.46 3.36 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.113 -0.565 . . . . 10.0 111.784 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' C' ' 31' ' ' ILE . 8.2 p -119.16 119.35 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.387 0.613 . . . . 10.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.618 -179.624 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' M' ' 11' ' ' GLU . 6.2 tp10 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.409 0.147 . . . . 10.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 p -156.58 140.73 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.58 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . 0.561 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 1.4 t60 -81.43 131.67 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.265 0.555 . . . . 10.0 111.989 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . 0.52 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 40.2 m-70 -132.61 86.99 2.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.598 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 19.9 pt20 -110.8 135.31 51.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.499 0.666 . . . . 10.0 112.554 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 38.8 ttpt -136.99 120.12 16.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.43 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.54 120.54 41.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.848 -0.614 . . . . 10.0 109.404 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.808 ' HB ' HG12 ' M' ' 18' ' ' VAL . 10.5 t -125.27 126.24 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.15 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 33.6 m-85 -119.79 125.64 49.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.181 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -106.65 121.93 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 101.06 6.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.55 80.85 1.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.51 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -77.05 112.72 14.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.981 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.04 -24.55 3.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.774 0.321 . . . . 10.0 110.888 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -90.96 -79.21 1.38 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.688 -0.768 . . . . 10.0 113.041 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 26' ' ' SER . . . . . 0.468 ' C ' HD22 ' M' ' 27' ' ' ASN . 58.9 m -153.66 101.33 2.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 110.594 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -51.29 149.07 4.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.995 -1.002 . . . . 10.0 113.282 -178.547 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 44.6 tttm -137.24 -86.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.289 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . 0.593 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 159.2 113.6 0.35 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.401 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -88.54 156.04 19.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' K' ' 31' ' ' ILE . 4.6 tp -112.13 102.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.562 0.696 . . . . 10.0 110.435 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.533 HG12 HG22 ' K' ' 32' ' ' ILE . 41.7 pt -128.99 142.45 44.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.436 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.21 124.24 5.41 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.958 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' K' ' 34' ' ' LEU . 2.5 mm? -104.41 90.67 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 35' ' ' MET . . . . . 0.544 ' HG2' ' HA2' ' D' ' 37' ' ' GLY . 3.2 mpp? -111.3 106.59 15.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 111.604 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.525 ' HB ' HG13 ' K' ' 36' ' ' VAL . 24.3 t -107.93 130.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.63 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.599 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -118.61 109.48 1.76 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.696 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.36 120.83 5.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.035 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . 0.445 HG22 ' HA3' ' D' ' 33' ' ' GLY . 42.5 t -125.44 119.61 55.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.67 134.73 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 10.0 112.272 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.92 136.92 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.388 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.371 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' L' ' 11' ' ' GLU . 2.0 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.274 0.559 . . . . 10.0 110.477 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -72.24 148.2 9.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.399 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . 0.561 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 4.3 t60 -98.32 91.2 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.338 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.34 110.68 18.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.197 0.522 . . . . 10.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 47.0 tt0 -127.43 108.5 10.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.551 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -129.46 125.86 37.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.035 0.445 . . . . 10.0 111.391 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.709 HD22 HD23 ' M' ' 34' ' ' LEU . 4.3 mp -125.34 118.07 25.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.914 -0.773 . . . . 10.0 108.914 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.808 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.3 m -127.45 128.05 69.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.336 0.589 . . . . 10.0 112.106 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.56 121.17 37.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.652 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -102.32 119.04 38.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.689 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.41 102.88 7.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.467 . . . . 10.0 109.749 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -106.65 136.85 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.292 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.59 143.19 50.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.053 0.454 . . . . 10.0 111.08 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.95 4.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.503 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -129.78 -79.83 0.23 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.461 -0.876 . . . . 10.0 113.236 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 124.95 12.6 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . 0.468 HD22 ' C ' ' L' ' 26' ' ' SER . 4.7 m-80 -82.94 148.57 27.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.058 0.456 . . . . 10.0 111.557 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.921 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 65.2 mttt -132.29 -102.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.376 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . 0.528 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 179.37 114.41 0.42 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.938 -1.125 . . . . 10.0 113.024 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.482 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -85.09 156.32 21.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' N' ' 31' ' ' ILE . 1.2 mt -113.24 92.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.531 HG23 ' HB ' ' N' ' 32' ' ' ILE . 20.8 mt -118.2 125.38 74.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.02 110.5 2.1 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.984 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.709 HD23 HD22 ' M' ' 17' ' ' LEU . 7.0 mp -97.98 105.99 18.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' N' ' 35' ' ' MET . 0.0 OUTLIER -127.94 87.85 2.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.56 0.695 . . . . 10.0 111.124 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' N' ' 36' ' ' VAL . 3.6 m -105.02 129.7 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.249 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . 0.582 ' HA3' ' SD ' ' E' ' 35' ' ' MET . . . -130.71 145.43 16.81 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.921 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.21 124.12 1.97 Allowed Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 121.123 -0.56 . . . . 10.0 111.932 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -116.32 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.355 0.597 . . . . 10.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.854 -179.44 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' O' ' 11' ' ' GLU . 1.3 tp10 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.186 0.517 . . . . 10.0 109.896 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . 0.822 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -89.17 111.09 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -84.07 126.68 33.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.657 0.265 . . . . 10.0 111.176 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -124.67 94.17 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -112.34 113.05 25.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 10.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -129.23 117.93 21.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.338 0.589 . . . . 10.0 112.027 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.52 115.61 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.072 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' O' ' 18' ' ' VAL . 6.7 t -121.19 118.65 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.981 0.419 . . . . 10.0 110.706 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -117.87 125.8 51.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.64 125.84 51.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.554 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 89.6 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.91 110.0 20.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.816 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 29.9 m-20 -112.52 119.48 38.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 10.0 110.868 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' O' ' 24' ' ' VAL . 18.3 m -101.07 3.29 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . 0.521 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -108.18 -84.53 1.64 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.558 -0.829 . . . . 10.0 111.782 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 84.5 p -149.31 101.85 3.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . 0.48 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 1.5 m120 -60.65 138.82 58.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.261 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' O' ' 27' ' ' ASN . 0.3 OUTLIER -121.25 -67.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 138.66 119.93 1.77 Allowed Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.031 -1.081 . . . . 10.0 113.192 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . 0.467 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' M' ' 31' ' ' ILE . 9.8 tt -113.42 112.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.562 0.696 . . . . 10.0 111.299 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.531 ' HB ' HG23 ' M' ' 32' ' ' ILE . 23.2 mt -120.65 125.53 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.471 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.14 116.82 4.21 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.269 -0.732 . . . . 10.0 111.269 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' M' ' 34' ' ' LEU . 2.6 mm? -105.58 94.97 5.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' M' ' 35' ' ' MET . 2.5 mpt? -115.11 92.21 3.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.119 0.485 . . . . 10.0 111.117 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' M' ' 36' ' ' VAL . 44.2 t -112.75 125.36 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.811 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -130.02 139.98 11.38 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.923 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.55 137.58 9.45 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 10.0 111.936 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . 0.726 ' HB ' HG12 ' O' ' 39' ' ' VAL . 44.3 t -127.04 129.78 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.6 p -150.18 129.5 3.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.061 0.458 . . . . 10.0 111.982 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . 0.455 HG23 HG12 ' G' ' 31' ' ' ILE . 6.5 pt -68.66 138.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.016 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.268 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' N' ' 11' ' ' GLU . 18.3 mm-40 . . . . . 0 C--O 1.235 0.308 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . 0.822 HG12 ' HB ' ' N' ' 12' ' ' VAL . 17.3 m -113.82 131.53 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -96.49 99.15 10.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -89.47 106.49 18.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.747 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -115.07 94.47 4.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' O' ' 16' ' ' LYS . 4.8 tmmm? -112.52 117.99 33.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.514 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.57 118.1 29.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.128 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' N' ' 18' ' ' VAL . 3.1 m -130.63 133.19 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.477 0.656 . . . . 10.0 112.699 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.04 120.88 30.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.778 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -102.99 112.08 24.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.01 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -123.13 123.62 41.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.08 134.45 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.639 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . 0.419 ' O ' HG22 ' N' ' 24' ' ' VAL . 5.4 t70 -113.69 140.62 48.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.556 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.547 ' HA ' HG22 ' N' ' 24' ' ' VAL . 92.4 t -120.86 -8.02 10.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 10.0 109.599 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -122.62 -69.76 0.24 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.291 -0.957 . . . . 10.0 113.537 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 59.4 m -156.7 104.78 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.519 0.2 . . . . 10.0 111.011 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . 0.85 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.5 t-20 -57.84 143.84 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' P' ' 28' ' ' LYS . 54.6 tttp -124.83 -62.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.379 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 124.05 122.64 2.71 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.401 -0.904 . . . . 10.0 113.016 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' CA ' ' P' ' 29' ' ' GLY . . . -98.17 174.91 6.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.361 0.264 . . . . 10.0 110.761 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' P' ' 31' ' ' ILE . 15.2 mt -109.75 100.31 10.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 19.5 mt -112.33 117.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.52 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.37 121.04 4.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.024 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.91 104.66 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.917 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 4.3 mpp? -117.51 105.98 12.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.625 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' N' ' 36' ' ' VAL . 48.2 t -116.73 121.12 67.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . 0.694 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -131.45 118.23 2.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.18 137.35 9.3 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.6 -0.81 . . . . 10.0 112.583 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.726 HG12 ' HB ' ' N' ' 39' ' ' VAL . 33.0 m -122.6 136.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 10.0 110.63 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.966 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.238 0.466 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . 0.516 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -60.22 136.96 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.225 0.328 . . . . 10.0 110.791 179.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -62.56 128.18 34.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -120.86 113.94 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.056 -0.974 . . . . 10.0 108.857 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -117.82 125.85 51.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.244 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -132.73 112.38 11.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.359 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.52 HD23 ' HG ' ' P' ' 34' ' ' LEU . 7.2 mp -118.76 112.2 19.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.03 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -119.82 120.13 62.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.466 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.92 143.69 50.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.675 0.274 . . . . 10.0 110.898 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.52 126.13 48.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.501 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -131.88 84.29 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.359 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.47 165.11 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.727 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -150.75 147.36 27.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.117 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.1 t -128.16 2.78 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.778 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . 0.556 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -136.7 -56.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.436 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 62.4 m -157.83 107.46 2.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.777 0.323 . . . . 10.0 110.19 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.85 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 28.4 t-20 -54.68 139.5 38.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.853 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' P' ' 29' ' ' GLY . 30.9 tttp -119.95 -153.87 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . 0.56 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . -146.65 113.22 0.65 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.408 -0.677 . . . . 10.0 111.408 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 170.17 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.664 0.269 . . . . 10.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.458 HD13 ' HB ' ' O' ' 31' ' ' ILE . 1.7 mm -99.58 114.57 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.461 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.1 mt -129.11 110.4 20.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . 0.533 ' HA3' HG11 ' H' ' 39' ' ' VAL . . . -123.81 121.21 4.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.613 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' P' ' 17' ' ' LEU . 2.7 mm? -110.88 106.42 15.55 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mtm -113.24 108.98 18.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.378 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.59 128.55 71.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.442 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . 0.625 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -129.51 142.88 14.04 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.261 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.28 131.64 4.63 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.481 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.18 133.57 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.434 0.159 . . . . 10.0 111.259 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 8.7 p -173.85 162.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.333 -0.247 . . . . 10.0 110.333 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 pt -93.43 176.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.631 0.253 . . . . 10.0 110.477 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.455 -0.783 . . . . 10.0 110.552 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.623 ' HB2' HG11 ' B' ' 12' ' ' VAL . 4.3 mm-40 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.609 0.242 . . . . 10.0 110.411 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -108.41 147.52 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.781 0.324 . . . . 10.0 111.149 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.442 ' CE1' ' HB3' ' B' ' 13' ' ' HIS . 4.2 t60 -68.5 102.63 1.49 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.148 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 59.7 m170 -92.36 88.5 6.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.249 0.547 . . . . 10.0 111.28 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 6.6 tt0 -106.8 120.34 41.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.606 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -130.78 126.11 35.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 111.765 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -113.71 117.15 30.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.269 -1.011 . . . . 10.0 108.269 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -129.43 125.21 61.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -116.33 121.18 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.455 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -114.26 99.23 7.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.445 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.08 136.52 40.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.735 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.4 mm-40 -85.59 177.45 7.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.293 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' B' ' 27' ' ' ASN . 29.7 t70 -157.91 87.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.865 0.364 . . . . 10.0 111.321 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.794 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 26.0 t -122.56 -38.99 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.062 0.458 . . . . 10.0 110.307 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -93.07 -153.31 30.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 10.0 111.976 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.49 115.77 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 141.8 44.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 7.8 tttt -164.5 176.48 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.4 147.92 16.71 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.119 -1.039 . . . . 10.0 113.106 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.49 161.77 16.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.968 0.413 . . . . 10.0 110.848 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' B' ' 31' ' ' ILE . 12.7 mm -105.2 82.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 10.0 109.41 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.568 HG22 ' HB ' ' B' ' 32' ' ' ILE . 16.5 pt -103.09 133.05 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.358 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.16 99.89 0.86 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.14 97.83 11.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.606 0.241 . . . . 10.0 110.58 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.45 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.4 mpt? -129.47 74.26 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.282 0.563 . . . . 10.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' B' ' 36' ' ' VAL . 24.7 t -90.92 134.61 29.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.28 125.93 6.36 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.498 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.08 112.59 0.94 Allowed Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.426 -1.069 . . . . 10.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.44 123.48 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.452 0.644 . . . . 10.0 111.922 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' B' ' 40' ' ' VAL . 54.5 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.911 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.98 0.419 . . . . 10.0 110.448 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 11' ' ' GLU . 4.1 t -115.66 118.47 58.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.715 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . 0.442 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 4.3 t60 -85.4 118.65 25.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.959 0.409 . . . . 10.0 111.461 -178.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.439 ' ND1' ' HB2' ' A' ' 14' ' ' HIS . 27.7 m-70 -118.79 101.15 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.1 tt0 -117.91 127.6 54.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.972 0.415 . . . . 10.0 111.407 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -131.93 125.18 31.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . 0.483 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 8.6 mp -112.67 111.6 22.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.708 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.8 t -116.17 121.69 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.01 113.17 18.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.666 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.2 122.22 42.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.84 113.68 13.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.742 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 32.6 mt-10 -87.51 159.26 18.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.948 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.6 m-20 -147.0 51.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.794 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 76.9 t -73.7 -26.49 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.432 . . . . 10.0 111.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.57 -65.18 1.36 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.197 -1.001 . . . . 10.0 111.82 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.522 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 p -167.27 120.64 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.527 HD21 ' HA ' ' A' ' 23' ' ' ASP . 1.2 m120 -62.57 146.74 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.353 0.408 . . . . 10.0 110.055 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.719 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 22.6 tptt -139.29 -75.71 0.36 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.189 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.686 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 145.25 98.75 0.25 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.714 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -84.73 153.82 22.82 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -98.97 117.12 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.615 0.722 . . . . 10.0 109.73 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.568 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.0 mt -131.66 115.91 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.746 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' J' ' 39' ' ' VAL . . . -105.1 120.07 6.41 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.278 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.37 91.42 3.64 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.473 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 2.5 mpt? -121.65 85.72 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.314 0.578 . . . . 10.0 111.357 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 36' ' ' VAL . 35.3 t -95.22 132.92 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.432 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -117.33 106.98 1.48 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.369 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 105.17 2.02 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.618 -0.993 . . . . 10.0 110.618 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 2.4 t -113.96 119.93 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.654 0.264 . . . . 10.0 110.928 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' A' ' 40' ' ' VAL . 49.1 t -129.48 129.71 67.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.701 ' HA ' HG13 ' J' ' 31' ' ' ILE . 0.5 OUTLIER -64.61 142.01 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 10.0 110.752 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . 0.434 ' H ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.009 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.701 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.342 0.591 . . . . 10.0 111.191 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.531 HG12 ' HB ' ' B' ' 12' ' ' VAL . 27.2 m -89.82 127.5 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.688 . . . . 10.0 112.15 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -83.48 97.46 9.01 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . 0.414 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 1.7 m-70 -84.71 107.26 16.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.183 0.516 . . . . 10.0 111.884 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.42 102.88 9.26 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -114.95 121.06 41.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 10.0 111.957 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . 0.483 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 49.4 mt -119.53 114.47 22.31 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' D' ' 18' ' ' VAL . 6.6 p -136.04 131.14 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.465 0.65 . . . . 10.0 112.543 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.455 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 11.3 m-85 -118.53 132.7 56.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.898 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -112.46 102.37 10.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.456 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.06 118.36 33.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.377 . . . . 10.0 110.082 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 35.1 mt-10 -107.52 159.21 16.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.69 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.1 t70 -152.76 119.76 5.8 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.982 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.0 m -135.42 20.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 108.729 -0.841 . . . . 10.0 108.729 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.3 -68.32 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.76 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.5 m -167.5 92.29 0.39 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.686 0.395 . . . . 10.0 110.327 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.419 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 48.4 t30 -57.58 148.53 23.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.266 0.555 . . . . 10.0 111.797 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' D' ' 28' ' ' LYS . 61.6 tttt -135.17 -118.67 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.831 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.753 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -152.78 101.01 0.21 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.945 -1.122 . . . . 10.0 113.93 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.809 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -72.62 158.32 35.88 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.698 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 mt -116.25 85.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.097 0.475 . . . . 10.0 110.037 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.881 HG22 ' HB ' ' D' ' 32' ' ' ILE . 16.7 pt -115.16 138.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.132 0.491 . . . . 10.0 112.265 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.9 122.05 3.08 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.355 -0.698 . . . . 10.0 111.355 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.5 mp -111.12 101.18 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.848 0.356 . . . . 10.0 110.675 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.473 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.7 mpp? -119.73 93.84 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.706 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB ' ' D' ' 36' ' ' VAL . 39.8 t -103.72 115.87 46.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.653 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' HE2' ' K' ' 35' ' ' MET . . . -112.16 127.34 8.02 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.738 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.02 127.42 3.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.629 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' K' ' 31' ' ' ILE . 7.6 p -127.4 120.33 54.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.425 0.631 . . . . 10.0 111.683 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.301 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.747 0.308 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.701 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 6.4 p -133.66 131.93 57.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -91.73 129.83 37.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 98.9 m-70 -132.91 94.95 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.064 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 29.4 pt20 -117.8 139.38 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.363 0.602 . . . . 10.0 112.507 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -138.65 129.28 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.914 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' E' ' 17' ' ' LEU . 8.4 mp -116.41 115.58 26.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.707 -0.678 . . . . 10.0 109.25 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' E' ' 18' ' ' VAL . 4.8 t -123.07 119.13 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 35.9 m-85 -116.63 123.48 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.665 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -104.54 127.75 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.196 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.12 103.24 5.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -104.57 88.08 2.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.172 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.64 ' HA ' HD21 ' E' ' 27' ' ' ASN . 0.7 OUTLIER -80.62 116.18 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.065 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.531 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.6 t -115.54 -27.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 10.0 111.276 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.91 -84.2 1.21 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -148.49 104.35 3.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.69 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.6 OUTLIER -54.75 151.38 8.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.914 -179.052 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.827 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 47.4 tttm -138.64 -90.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.282 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.809 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . 170.83 110.54 0.24 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.452 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -97.87 151.3 20.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.397 0.141 . . . . 10.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.712 HG13 HD13 ' L' ' 41' ' ' ILE . 6.0 mm -96.18 111.64 26.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.876 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.881 ' HB ' HG22 ' C' ' 32' ' ' ILE . 64.9 mt -129.77 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.267 -0.424 . . . . 10.0 109.949 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.439 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.1 117.52 5.6 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.692 -0.766 . . . . 10.0 112.215 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.3 mm? -104.67 98.88 8.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.571 ' HG2' ' CA ' ' L' ' 37' ' ' GLY . 2.2 mpp? -115.43 98.05 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.293 0.568 . . . . 10.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.7 ' HB ' HG13 ' C' ' 36' ' ' VAL . 35.9 t -105.87 128.06 60.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.372 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.581 ' CA ' ' HG2' ' L' ' 35' ' ' MET . . . -129.39 119.29 2.88 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.528 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 129.66 5.42 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.393 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.501 ' CG2' HG23 ' E' ' 39' ' ' VAL . 3.7 m -128.01 143.08 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' E' ' 40' ' ' VAL . 13.7 p -154.25 145.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.755 HD13 HG13 ' L' ' 31' ' ' ILE . 25.9 mm -65.74 131.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.489 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.047 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' F' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.985 0.898 . . . . 10.0 109.225 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . 0.432 HG12 ' CG1' ' D' ' 12' ' ' VAL . 18.5 m -76.14 124.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.602 -1.181 . . . . 10.0 112.835 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -87.25 92.12 8.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.49 107.17 18.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.235 0.541 . . . . 10.0 111.479 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.9 tt0 -118.76 118.19 30.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.286 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -131.32 127.68 38.16 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.086 0.469 . . . . 10.0 111.466 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . 0.447 ' HB2' ' HG ' ' D' ' 17' ' ' LEU . 25.5 mt -121.75 111.8 17.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.528 -0.915 . . . . 10.0 108.528 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.1 m -125.79 129.94 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.276 0.56 . . . . 10.0 112.445 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -123.9 127.94 48.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.785 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -109.82 107.81 17.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.148 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.02 15.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.69 140.78 41.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.966 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.4 OUTLIER -134.38 142.81 47.3 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.801 178.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.475 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.2 t -141.91 13.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.372 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -63.43 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.058 -1.068 . . . . 10.0 114.205 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.1 p -164.13 115.75 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.183 0.492 . . . . 10.0 110.477 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' D' ' 23' ' ' ASP . 4.1 m120 -76.96 157.04 31.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 10.0 111.591 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.827 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.9 tttm -138.78 -100.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -178.03 111.17 0.32 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.107 -1.044 . . . . 10.0 113.115 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.547 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -85.75 168.2 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.654 HG12 HD11 ' L' ' 41' ' ' ILE . 0.4 OUTLIER -121.88 89.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.14 123.72 68.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.148 0.499 . . . . 10.0 111.245 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 110.21 1.41 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.534 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.68 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.9 mp -102.19 105.29 15.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.918 0.389 . . . . 10.0 110.301 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.759 ' HG3' ' HA3' ' M' ' 37' ' ' GLY . 5.3 mmt -116.4 94.64 4.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.01 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' F' ' 36' ' ' VAL . 1.5 m -111.0 120.72 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -126.89 140.24 11.79 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.584 -0.817 . . . . 10.0 113.003 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.22 122.56 2.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.946 -0.645 . . . . 10.0 111.708 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.2 p -111.35 109.9 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.41 0.624 . . . . 10.0 110.624 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' F' ' 42' ' ' ALA . 21.4 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.945 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . 0.428 ' HB3' ' HG3' ' E' ' 11' ' ' GLU . 1.2 tp10 . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.297 0.57 . . . . 10.0 110.51 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 1.006 ' HB ' HG12 ' G' ' 12' ' ' VAL . 4.8 t -116.84 88.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -73.09 123.89 24.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.101 0.477 . . . . 10.0 111.477 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . 0.482 ' CD2' HG12 ' F' ' 12' ' ' VAL . 6.4 m-70 -124.82 97.95 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.691 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.0 tt0 -110.06 122.22 47.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.791 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -133.79 120.1 20.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.332 0.587 . . . . 10.0 112.035 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -112.47 121.47 44.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 10.0 109.447 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' G' ' 18' ' ' VAL . 11.6 t -125.25 118.52 52.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.549 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -118.23 127.72 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.32 128.47 55.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.0 93.61 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -101.5 95.94 6.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.57 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 20.2 m-20 -101.22 101.19 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.518 HG22 ' O ' ' G' ' 23' ' ' ASP . 12.4 m -98.38 8.08 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.23 -86.31 0.95 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.021 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -136.34 102.43 4.97 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.57 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.5 m120 -63.94 152.0 41.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.108 0.48 . . . . 10.0 111.26 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -138.14 -75.42 0.39 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 140.56 119.44 1.6 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.01 -1.091 . . . . 10.0 113.395 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.55 163.99 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.566 HG12 HG13 ' N' ' 39' ' ' VAL . 13.7 tt -109.03 114.42 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.648 0.737 . . . . 10.0 110.794 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -119.44 116.71 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.843 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.466 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -108.41 107.94 2.59 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.246 -0.741 . . . . 10.0 111.246 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.68 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.0 mm? -100.24 101.42 12.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 3.5 mpp? -117.16 96.41 5.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.124 0.488 . . . . 10.0 110.585 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG12 ' E' ' 36' ' ' VAL . 32.4 t -117.37 129.35 74.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.055 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.908 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -141.5 151.64 22.82 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.687 -0.768 . . . . 10.0 112.925 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 143.11 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.592 HG13 HG12 ' N' ' 31' ' ' ILE . 23.2 t -125.12 124.53 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.3 125.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -70.88 104.11 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.615 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.811 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.422 0.63 . . . . 10.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 1.006 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.9 m -113.82 130.59 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.189 -0.914 . . . . 10.0 112.989 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -95.05 97.53 10.02 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . 0.561 ' HB2' ' ND1' ' H' ' 14' ' ' HIS . 2.3 m-70 -86.59 120.42 27.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.469 . . . . 10.0 112.046 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.544 HE22 HG11 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -122.42 99.68 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -114.9 120.75 41.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 10.0 111.545 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . 0.832 HD13 HD21 ' G' ' 34' ' ' LEU . 3.9 mt -124.43 115.75 21.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.221 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -128.17 132.59 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -125.63 123.65 39.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.044 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.14 110.26 21.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.779 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.83 120.64 39.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -126.83 129.35 48.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' F' ' 24' ' ' VAL . 7.1 t70 -117.65 129.01 55.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.236 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 18.2 t -116.69 3.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.195 0.522 . . . . 10.0 110.239 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -135.7 -70.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.621 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -155.46 101.91 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.021 -0.362 . . . . 10.0 110.021 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.891 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 47.8 t-20 -68.88 148.82 49.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 10.0 110.953 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 37.4 tttp -121.12 -83.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.983 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.61 110.61 0.23 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.865 -1.16 . . . . 10.0 113.417 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.17 160.71 18.41 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.515 -0.18 . . . . 10.0 110.515 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 45.0 mt -104.9 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -106.83 113.59 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.459 . . . . 10.0 110.637 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.64 112.27 2.41 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.832 HD21 HD13 ' G' ' 17' ' ' LEU . 30.4 tp -113.4 106.92 15.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.81 0.338 . . . . 10.0 110.314 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.995 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.5 mpt? -117.38 102.34 9.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.277 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . 0.544 HG11 HE22 ' G' ' 15' ' ' GLN . 40.7 t -118.38 121.73 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.142 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.618 ' O ' ' HA2' ' H' ' 37' ' ' GLY . . . -142.81 145.28 15.17 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.944 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.19 148.43 18.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.323 -0.942 . . . . 10.0 112.628 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' H' ' 39' ' ' VAL . 20.9 m -119.23 147.11 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.72 0.295 . . . . 10.0 110.325 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.83 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.407 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.433 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -70.82 128.59 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.885 0.374 . . . . 10.0 110.552 179.419 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.69 132.31 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . 0.561 ' ND1' ' HB2' ' G' ' 14' ' ' HIS . 90.3 m-70 -116.55 115.78 26.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.447 -0.945 . . . . 10.0 108.447 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -112.5 120.55 42.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.781 0.324 . . . . 10.0 110.416 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -131.99 108.94 9.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.792 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD23 ' G' ' 17' ' ' LEU . 61.8 mt -116.32 116.83 28.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.278 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 t -119.55 121.21 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.43 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -123.32 134.38 54.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.857 0.36 . . . . 10.0 111.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -113.45 129.31 56.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.081 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -144.09 84.3 1.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.454 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 156.02 28.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.945 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 148.46 37.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 2.2 m -125.08 40.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.249 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.455 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -163.48 -70.44 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.259 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -146.79 86.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.868 0.366 . . . . 10.0 110.117 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.891 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -54.33 126.68 24.14 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.11 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 28.9 tttt -105.31 -77.61 0.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.812 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.76 125.79 2.87 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.305 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.88 177.79 4.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.935 0.398 . . . . 10.0 111.192 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.32 115.08 34.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.4 mt -120.59 101.27 10.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.76 112.59 3.01 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.101 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -116.09 101.94 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.872 0.368 . . . . 10.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.591 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.5 mpp? -106.92 99.88 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.84 130.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.981 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -141.55 146.0 16.83 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.751 -0.738 . . . . 10.0 112.558 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.83 144.41 15.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.118 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' G' ' 39' ' ' VAL . 6.4 m -128.56 131.77 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.555 -0.165 . . . . 10.0 110.555 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -166.08 162.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.297 -0.26 . . . . 10.0 110.297 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 pt -90.5 172.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.805 -0.442 . . . . 10.0 109.805 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.42 -0.8 . . . . 10.0 110.637 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.727 ' HB2' HG21 ' J' ' 12' ' ' VAL . 1.9 mm-40 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.851 0.358 . . . . 10.0 110.235 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -101.67 158.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.98 -0.554 . . . . 10.0 111.262 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -72.82 97.86 2.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.376 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -87.09 88.52 7.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 10.0 111.115 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' J' ' 15' ' ' GLN . 10.2 tt0 -108.8 117.74 34.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.167 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -127.24 127.86 45.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.153 0.502 . . . . 10.0 112.207 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.11 110.24 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -123.4 126.74 73.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.297 0.57 . . . . 10.0 112.473 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -118.48 119.83 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.932 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -112.85 111.92 23.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.716 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.67 135.31 54.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.294 -0.412 . . . . 10.0 109.948 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 23.5 mm-40 -84.04 175.05 9.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.976 0.417 . . . . 10.0 111.82 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -153.51 82.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.7 t -116.36 -39.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.027 0.441 . . . . 10.0 110.454 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -91.66 -154.47 30.77 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.742 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.84 123.89 20.1 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.26 144.71 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.513 0.561 . . . . 10.0 112.513 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.684 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.7 tttm -167.64 167.88 13.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.246 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.26 144.61 18.34 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.377 -0.916 . . . . 10.0 113.693 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.751 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -87.63 158.81 18.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.744 -0.228 . . . . 10.0 110.414 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.535 ' HB ' HG12 ' J' ' 31' ' ' ILE . 12.4 mm -103.15 90.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 10.0 109.748 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 12.4 pt -109.5 128.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.736 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.67 100.6 1.13 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.316 -0.713 . . . . 10.0 111.316 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.44 94.63 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.749 0.309 . . . . 10.0 111.205 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.421 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.5 mpt? -127.87 75.7 1.63 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.264 0.555 . . . . 10.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' J' ' 36' ' ' VAL . 18.4 t -93.26 129.34 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.99 131.01 9.22 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.862 -0.685 . . . . 10.0 112.572 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.59 106.1 0.39 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.91 126.5 71.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.327 0.584 . . . . 10.0 111.625 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' J' ' 40' ' ' VAL . 60.4 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.13 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.967 0.413 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' I' ' 11' ' ' GLU . 43.3 t -125.03 122.92 64.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.637 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -85.42 121.78 28.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.833 0.349 . . . . 10.0 111.901 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -120.91 91.62 3.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.539 ' O ' ' HA ' ' I' ' 15' ' ' GLN . 10.3 tt0 -110.73 126.86 55.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 10.0 111.531 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -131.41 124.25 29.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' K' ' 17' ' ' LEU . 8.8 mp -111.36 113.98 26.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.599 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.3 t -118.78 121.56 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.093 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.83 117.44 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.802 0.334 . . . . 10.0 111.595 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.41 121.9 44.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.53 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.72 117.74 19.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.9 mt-10 -89.12 158.57 17.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.326 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.471 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 9.2 m-20 -147.9 49.33 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.203 -0.665 . . . . 10.0 109.203 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.878 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 91.4 t -73.62 -28.26 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 10.0 111.189 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.42 -64.79 1.49 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.165 -1.017 . . . . 10.0 111.618 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.581 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.5 p -167.56 122.03 1.0 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 1.5 m120 -62.78 145.79 54.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.684 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 19.3 tptt -137.15 -83.54 0.34 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.709 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.751 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 155.39 91.98 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.2 -1.0 . . . . 10.0 112.556 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.766 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -77.94 148.77 34.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.701 HG13 ' HA ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -96.29 117.3 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.593 0.711 . . . . 10.0 109.892 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 33.1 mt -130.74 116.17 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.563 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -106.14 120.33 6.32 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.422 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.29 90.04 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.51 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 2.7 mpt? -120.67 85.3 2.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.467 0.651 . . . . 10.0 111.382 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' I' ' 36' ' ' VAL . 39.0 t -94.77 133.26 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.189 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.51 105.81 1.24 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.785 -0.722 . . . . 10.0 113.146 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 107.28 2.36 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' K' ' 39' ' ' VAL . 2.7 t -115.73 122.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.715 0.293 . . . . 10.0 110.854 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' I' ' 40' ' ' VAL . 48.0 t -131.13 130.0 63.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . 0.645 ' HA ' HG13 ' B' ' 31' ' ' ILE . 0.5 OUTLIER -65.23 143.93 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 120.941 0.4 . . . . 10.0 110.835 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . 0.466 ' H ' HD13 ' J' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.702 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.391 0.615 . . . . 10.0 110.729 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' J' ' 12' ' ' VAL . 12.2 m -86.89 121.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.39 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -79.09 100.93 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.456 -0.942 . . . . 10.0 108.456 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . 0.417 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 6.0 m170 -87.3 114.7 24.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.325 0.583 . . . . 10.0 111.612 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 4.4 tt0 -125.16 102.27 7.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.207 -0.906 . . . . 10.0 108.78 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -114.96 121.65 43.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.027 0.441 . . . . 10.0 112.077 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . 0.541 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 49.3 mt -120.05 111.8 18.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . 0.584 HG13 HG13 ' L' ' 18' ' ' VAL . 6.7 p -133.95 131.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 12.0 m-85 -121.05 131.84 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.122 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.69 104.71 12.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.115 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.9 113.03 24.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.787 0.327 . . . . 10.0 110.178 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . 0.598 ' HB2' ' HA ' ' L' ' 22' ' ' GLU . 50.5 mt-10 -97.31 161.59 13.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.937 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.603 ' HB2' HD21 ' L' ' 27' ' ' ASN . 4.5 t70 -158.26 116.1 2.97 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.327 179.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' J' ' 24' ' ' VAL . 10.5 m -133.16 13.7 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.6 -66.16 0.21 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.009 -0.996 . . . . 10.0 112.04 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.4 p -175.53 87.26 0.04 OUTLIER 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.362 0.265 . . . . 10.0 110.669 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 57.3 t30 -51.76 142.62 14.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.236 0.541 . . . . 10.0 112.256 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 75.9 tttt -128.51 -112.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.779 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . 0.766 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -156.8 101.87 0.21 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.879 -1.153 . . . . 10.0 113.482 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . 0.712 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -72.73 157.44 37.5 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.2 mt -116.13 85.49 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.826 HG22 ' HB ' ' L' ' 32' ' ' ILE . 20.3 pt -114.85 137.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 10.0 112.364 -178.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.05 121.16 3.12 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . 0.503 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -110.98 100.19 8.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 10.0 110.428 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 35' ' ' MET . . . . . 0.51 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.6 mpp? -120.26 93.0 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.923 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.724 HG13 ' HB ' ' L' ' 36' ' ' VAL . 38.8 t -101.57 118.94 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.638 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.11 126.13 7.05 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.622 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.45 129.14 4.41 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.564 -0.615 . . . . 10.0 111.564 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' C' ' 31' ' ' ILE . 7.2 p -128.4 122.79 58.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.479 0.657 . . . . 10.0 111.652 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.453 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.34 0.114 . . . . 10.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.702 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 7.0 p -104.61 135.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.694 0.283 . . . . 10.0 111.255 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -92.99 132.27 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.023 0.439 . . . . 10.0 111.622 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 95.6 m-70 -133.95 92.73 2.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.418 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 27.8 pt20 -116.08 137.03 52.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.587 . . . . 10.0 112.448 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' L' ' 16' ' ' LYS . 36.4 ttpt -137.98 127.36 24.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.898 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.2 mp -114.77 117.62 31.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.358 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.77 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.8 t -124.27 119.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.704 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 34.9 m-85 -117.77 120.12 36.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.766 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.38 97.36 3.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' K' ' 22' ' ' GLU . 1.9 pt-20 -104.4 96.59 6.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.276 0.56 . . . . 10.0 112.034 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 124.1 31.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.809 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.44 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 85.8 t -119.96 -30.15 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.776 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.71 -76.24 1.23 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.336 -0.935 . . . . 10.0 113.172 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 26' ' ' SER . . . . . 0.491 ' C ' HD22 ' M' ' 27' ' ' ASN . 61.0 m -154.45 101.01 2.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . 0.603 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -52.79 148.87 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.007 0.817 . . . . 10.0 112.175 -178.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.964 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 20.0 tttm -137.31 -86.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.069 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 164.13 113.67 0.29 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.093 -1.051 . . . . 10.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . 0.428 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -97.82 154.78 17.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.398 0.142 . . . . 10.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.755 HG13 HD13 ' D' ' 41' ' ' ILE . 6.1 mm -98.72 110.0 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.826 ' HB ' HG22 ' K' ' 32' ' ' ILE . 47.7 mt -128.62 109.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.15 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . 0.495 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -106.6 117.61 5.42 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.068 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.5 mm? -105.53 98.09 7.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 35' ' ' MET . . . . . 0.581 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 2.2 mpp? -115.39 98.71 6.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.348 0.594 . . . . 10.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.724 ' HB ' HG13 ' K' ' 36' ' ' VAL . 29.2 t -104.64 128.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.571 ' CA ' ' HG2' ' D' ' 35' ' ' MET . . . -127.43 121.63 3.92 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.288 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.52 127.72 4.05 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.35 -0.929 . . . . 10.0 112.745 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' M' ' 39' ' ' VAL . 2.9 m -128.38 142.44 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -151.73 143.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.878 0.371 . . . . 10.0 111.367 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . 0.712 HD13 HG13 ' D' ' 31' ' ' ILE . 34.0 mm -67.38 128.95 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.517 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.255 179.635 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' N' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.767 0.794 . . . . 10.0 109.656 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.28 124.14 32.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.911 -1.041 . . . . 10.0 112.006 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -86.17 89.27 7.78 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -86.02 113.42 22.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.618 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 16.2 tt0 -126.48 122.4 35.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.204 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -135.71 128.88 31.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.865 0.364 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 25.2 mt -122.3 110.68 15.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.31 -0.996 . . . . 10.0 108.31 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.77 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.1 m -124.07 128.34 73.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -122.56 124.97 44.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.686 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -106.93 105.52 15.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.215 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.29 111.57 22.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.903 0.382 . . . . 10.0 109.97 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' L' ' 22' ' ' GLU . 34.8 mt-10 -112.36 138.61 48.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.988 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.83 143.15 49.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.853 0.359 . . . . 10.0 110.475 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -142.39 13.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.2 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -141.6 -64.13 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.036 -1.078 . . . . 10.0 114.59 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.83 122.26 3.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.246 0.523 . . . . 10.0 110.331 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . 0.491 HD22 ' C ' ' L' ' 26' ' ' SER . 4.9 m-80 -85.64 147.9 26.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.073 0.464 . . . . 10.0 111.533 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.964 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 13.3 mttm -130.92 -96.02 0.36 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.177 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 171.94 113.25 0.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.707 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -84.11 165.12 18.75 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.695 HG12 HD11 ' D' ' 41' ' ' ILE . 0.6 OUTLIER -116.05 92.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.411 HG23 ' HB ' ' N' ' 32' ' ' ILE . 9.1 mt -113.78 125.22 71.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 10.0 111.187 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.73 110.09 1.33 Allowed Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.974 -0.632 . . . . 10.0 111.561 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.697 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.1 mp -101.87 105.13 15.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.838 0.351 . . . . 10.0 110.208 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.2 mmt -117.45 95.67 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.905 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . 0.63 HG12 ' HB ' ' N' ' 36' ' ' VAL . 1.8 m -111.83 124.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.591 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . 0.759 ' HA3' ' HG3' ' E' ' 35' ' ' MET . . . -131.62 133.19 7.07 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.217 -0.992 . . . . 10.0 113.194 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.49 123.19 3.3 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.983 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . 0.538 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.5 p -111.86 111.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.262 0.553 . . . . 10.0 110.522 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.451 HG12 ' HB2' ' N' ' 42' ' ' ALA . 20.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.99 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -108.89 92.97 2.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -77.45 125.01 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 10.0 111.865 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -121.92 97.47 5.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.816 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' M' ' 15' ' ' GLN . 17.3 tt0 -108.99 119.4 39.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.799 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . 0.591 ' HG3' ' HG2' ' O' ' 16' ' ' LYS . 16.9 ptmt -135.4 121.75 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.43 0.633 . . . . 10.0 112.153 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.7 mp -113.41 120.6 41.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.445 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . 0.933 ' HB ' HG12 ' O' ' 18' ' ' VAL . 10.7 t -122.21 116.66 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.335 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -116.87 127.01 53.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.638 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -109.21 127.56 54.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.14 89.19 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.31 104.46 14.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . 0.575 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 32.1 m-20 -108.25 111.84 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.187 0.517 . . . . 10.0 110.273 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' O' ' 24' ' ' VAL . 19.8 m -100.1 11.83 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -120.22 -89.52 1.14 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.231 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.05 97.78 3.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 1.3 m120 -62.58 140.56 58.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.446 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 0.1 OUTLIER -125.18 -72.95 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.384 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 140.04 118.43 1.53 Allowed Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.907 -1.139 . . . . 10.0 113.682 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -94.01 165.96 12.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.592 HG12 HG13 ' F' ' 39' ' ' VAL . 11.9 tt -110.59 117.98 56.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.563 0.697 . . . . 10.0 110.726 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.45 HG12 HD12 ' O' ' 32' ' ' ILE . 15.9 mt -122.05 117.35 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.817 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -108.62 109.33 2.82 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.113 -0.795 . . . . 10.0 111.113 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.697 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -100.74 101.07 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.908 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 3.4 mpp? -116.35 97.33 5.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.031 0.443 . . . . 10.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . 0.63 ' HB ' HG12 ' M' ' 36' ' ' VAL . 39.7 t -116.36 130.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.734 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.04 144.72 14.99 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.506 -0.854 . . . . 10.0 113.139 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.61 142.04 12.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.124 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . 0.566 HG13 HG12 ' F' ' 31' ' ' ILE . 32.6 t -126.37 123.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' M' ' 40' ' ' VAL . 3.1 p -143.07 124.87 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -70.58 108.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.347 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . 0.451 ' HB2' HG12 ' M' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.733 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . 0.441 ' HB3' HG13 ' P' ' 12' ' ' VAL . 15.3 mt-10 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.969 0.414 . . . . 10.0 111.415 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' N' ' 12' ' ' VAL . 19.4 m -111.05 127.69 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -94.53 101.38 13.27 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -89.4 120.58 30.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -120.67 94.3 4.32 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . 0.591 ' HG2' ' HG3' ' N' ' 16' ' ' LYS . 1.1 tmmm? -110.96 115.58 29.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.219 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . 0.836 HD13 HD21 ' O' ' 34' ' ' LEU . 4.7 mt -121.6 119.05 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.933 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.3 m -130.71 132.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' P' ' 32' ' ' ILE . 30.8 m-85 -125.78 124.44 40.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.143 -0.935 . . . . 10.0 108.886 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -110.72 110.73 21.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 119.38 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' P' ' 22' ' ' GLU . 32.5 mt-10 -124.38 129.44 50.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.894 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.03 127.19 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 10.0 110.662 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' N' ' 24' ' ' VAL . 5.9 t -118.86 10.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.296 0.57 . . . . 10.0 109.719 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.44 -71.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.129 -1.034 . . . . 10.0 112.99 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -158.36 109.67 2.19 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . 0.69 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.4 t-20 -66.68 149.34 50.66 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.392 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 63.5 tttp -126.43 -78.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.969 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 158.34 106.32 0.23 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.673 -1.251 . . . . 10.0 113.544 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 162.48 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -107.95 96.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . 0.45 HD12 HG12 ' N' ' 32' ' ' ILE . 64.0 mt -105.08 114.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.626 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.54 104.35 0.98 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.305 -0.718 . . . . 10.0 111.305 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . 0.836 HD21 HD13 ' O' ' 17' ' ' LEU . 39.4 tp -107.48 113.1 26.22 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.496 ' HG3' ' HG3' ' P' ' 35' ' ' MET . 1.3 ptp -128.69 108.19 10.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.281 0.562 . . . . 10.0 110.998 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -120.98 123.58 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.237 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . 0.995 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -141.17 132.68 5.46 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.833 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.27 147.76 19.32 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.746 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' N' ' 39' ' ' VAL . 26.5 m -118.52 142.02 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 10.0 110.497 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.821 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.703 0.287 . . . . 10.0 110.64 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . 0.549 HG21 ' N ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -67.04 140.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.624 -0.509 . . . . 10.0 109.624 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -68.54 131.23 44.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -115.15 105.56 13.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -104.58 122.19 45.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.088 0.471 . . . . 10.0 110.849 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -134.36 112.52 11.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD23 ' O' ' 17' ' ' LEU . 6.9 mp -118.79 122.83 43.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.08 124.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.292 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -128.18 131.74 48.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.857 0.36 . . . . 10.0 111.127 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -110.72 129.79 55.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.405 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.72 78.11 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' HB2' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -109.91 158.35 18.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.766 -178.574 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -149.5 151.0 33.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.1 OUTLIER -127.59 29.79 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.524 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.25 -60.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.805 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -151.23 94.04 1.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.69 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 0.2 OUTLIER -60.9 123.27 17.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.783 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . 0.519 ' N ' HD22 ' P' ' 27' ' ' ASN . 36.4 tttp -101.08 -83.22 0.45 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.648 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.31 112.02 1.56 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.575 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 179.97 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.844 0.354 . . . . 10.0 111.165 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pt -98.26 113.02 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . 0.531 HG21 ' HE2' ' O' ' 19' ' ' PHE . 41.6 mt -117.46 102.19 13.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.996 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 120.56 5.02 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.079 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.45 107.55 13.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 10.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.981 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mpt? -108.05 98.93 8.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.066 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -108.63 126.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.366 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -135.26 154.24 21.55 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.86 139.01 6.95 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.164 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -127.42 138.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -175.8 166.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.121 -0.325 . . . . 10.0 110.121 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 14.5 pt -95.79 -178.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 10.0 110.388 -179.683 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.472 ' HB3' HG13 ' B' ' 12' ' ' VAL . 6.9 mm-40 . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.031 0.444 . . . . 10.0 110.77 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -99.25 174.0 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 -177.221 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.467 ' H ' HG12 ' A' ' 12' ' ' VAL . 3.0 t-160 -102.71 114.87 29.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.273 -1.33 . . . . 10.0 108.568 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -94.08 87.09 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -103.13 117.46 34.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.725 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -138.59 131.03 28.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.972 0.415 . . . . 10.0 111.67 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.84 109.96 14.84 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -119.75 123.73 71.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.313 0.578 . . . . 10.0 112.457 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -114.55 117.95 32.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.6 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -111.25 107.33 16.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.801 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -108.21 128.95 55.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.883 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 3.1 mm-40 -75.99 173.51 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.384 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -152.9 84.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.802 0.334 . . . . 10.0 111.47 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.867 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 44.5 t -122.89 -37.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.697 0.284 . . . . 10.0 111.011 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.561 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -91.72 -155.63 31.95 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.163 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 p -70.28 128.12 35.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.383 -0.229 . . . . 10.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -58.88 151.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 25.3 tptt -160.02 -144.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.422 -0.808 . . . . 10.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.22 128.65 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.331 -0.938 . . . . 10.0 113.138 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.65 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -83.35 157.27 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.588 0.233 . . . . 10.0 110.597 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.632 ' HB ' HD13 ' B' ' 31' ' ' ILE . 31.7 mm -106.55 90.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' B' ' 32' ' ' ILE . 19.5 pt -105.82 136.75 38.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.623 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.11 95.71 0.58 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 93.67 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.024 0.44 . . . . 10.0 110.822 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.9 mpt? -124.29 77.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.173 0.511 . . . . 10.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.47 119.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.667 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.7 107.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.56 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -135.86 116.32 1.47 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.354 -0.699 . . . . 10.0 111.354 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.36 137.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 10.0 111.221 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' HB ' ' B' ' 40' ' ' VAL . 60.2 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 121.247 0.546 . . . . 10.0 110.222 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . 0.66 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -116.51 90.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 178.618 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -72.49 118.97 16.05 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.655 0.264 . . . . 10.0 111.032 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -117.56 89.23 3.07 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -114.53 112.77 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.146 0.498 . . . . 10.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -124.13 123.66 40.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.762 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -105.94 111.55 24.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.247 -0.888 . . . . 10.0 108.98 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.1 t -114.76 120.54 64.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.02 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.54 117.26 25.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.883 0.373 . . . . 10.0 111.384 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -104.06 118.95 37.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.948 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -127.45 109.62 11.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.883 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 73.9 mt-10 -90.67 152.54 20.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . 0.68 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 13.5 m-20 -141.99 61.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.867 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 46.5 t -80.43 -20.83 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.071 0.462 . . . . 10.0 111.05 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.2 -61.91 1.02 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 10.0 111.783 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . 0.561 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 77.9 p -165.35 120.39 1.3 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . 0.68 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -64.1 148.98 48.61 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.797 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -143.48 -99.19 0.12 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.874 -0.33 . . . . 10.0 111.812 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 172.78 107.15 0.2 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.664 -1.255 . . . . 10.0 113.092 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' CA ' ' C' ' 29' ' ' GLY . . . -89.95 156.7 18.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.637 0.256 . . . . 10.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.81 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.1 mm -99.37 100.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.655 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -114.3 106.1 20.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.787 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.53 114.58 5.05 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.873 -0.679 . . . . 10.0 111.922 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -111.67 91.74 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HA ' ' C' ' 35' ' ' MET . 1.4 mpt? -121.67 90.41 3.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.378 0.609 . . . . 10.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' C' ' 36' ' ' VAL . 43.7 t -101.77 128.35 54.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . 0.457 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.48 118.86 4.08 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.02 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -140.76 113.78 0.89 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.255 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' C' ' 39' ' ' VAL . 35.2 m -124.37 139.25 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.077 0.465 . . . . 10.0 110.729 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 40' ' ' VAL . 46.3 t -125.51 136.83 59.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.153 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ILE . . . . . 0.781 ' HA ' HG13 ' J' ' 31' ' ' ILE . 18.1 tt -64.1 131.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.011 0.434 . . . . 10.0 111.129 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.613 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . 0.613 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.289 0 CA-C-O 121.25 0.547 . . . . 10.0 111.319 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . 0.66 HG12 ' HB ' ' B' ' 12' ' ' VAL . 10.9 m -98.26 120.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.688 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -87.32 96.79 10.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -86.15 110.29 19.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.157 0.503 . . . . 10.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -126.21 93.36 3.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.121 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -105.37 120.6 41.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.842 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.7 mt -116.77 111.97 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . 0.535 HG13 HG13 ' D' ' 18' ' ' VAL . 7.5 p -134.91 132.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -121.2 130.51 53.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.423 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -112.12 99.04 7.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.193 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.0 124.44 49.59 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 66.8 mt-10 -116.82 150.01 39.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.632 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.0 t70 -142.83 125.61 16.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.035 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 8.1 m -137.18 13.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -128.33 -68.65 0.13 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.575 -0.738 . . . . 10.0 112.295 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.0 p -169.87 87.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -53.87 145.94 15.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . 0.797 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 63.4 tttt -129.79 -100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.712 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' B' ' 30' ' ' ALA . . . -175.68 111.57 0.36 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.424 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -82.94 149.39 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' D' ' 31' ' ' ILE . 0.3 OUTLIER -102.28 91.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.655 HG22 HG13 ' D' ' 32' ' ' ILE . 27.4 pt -112.77 129.89 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.372 0.606 . . . . 10.0 112.03 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.17 113.0 2.03 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.04 104.21 13.6 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . 0.521 ' HA ' ' O ' ' B' ' 35' ' ' MET . 2.5 mpt? -126.35 97.56 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.25 0.548 . . . . 10.0 111.049 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB ' ' D' ' 36' ' ' VAL . 25.5 t -102.55 123.29 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.564 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -117.25 114.85 3.08 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.432 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . 0.473 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -130.51 122.22 3.53 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.776 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' B' ' 39' ' ' VAL . 4.2 p -123.43 120.77 61.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.487 0.66 . . . . 10.0 110.806 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.934 -179.135 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' D' ' 12' ' ' VAL . 3.1 tp10 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 110.775 -0.083 . . . . 10.0 110.775 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . 0.613 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 11.6 p -106.06 132.69 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.196 0.522 . . . . 10.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -61.24 132.33 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -130.68 99.15 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.325 -0.852 . . . . 10.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' E' ' 15' ' ' GLN . 9.7 pt20 -122.33 136.94 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -130.0 118.59 21.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.099 -0.955 . . . . 10.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -109.32 113.66 26.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.314 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.771 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.5 t -124.34 121.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.343 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -117.83 122.96 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.464 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' E' ' 20' ' ' PHE . 98.6 m-85 -101.6 124.76 47.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 97.1 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -101.37 100.73 11.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.282 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -93.02 116.92 29.5 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.95 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 64.9 t -111.68 -30.49 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.896 0.379 . . . . 10.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.09 -123.67 2.88 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.443 -0.884 . . . . 10.0 111.928 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -99.72 98.5 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -51.06 145.98 6.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.969 -0.559 . . . . 10.0 112.003 -179.091 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 42.4 tttm -135.0 -88.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.568 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 155.47 121.87 0.76 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.636 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -92.67 159.88 15.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.442 HD11 HG13 ' K' ' 39' ' ' VAL . 3.2 tp -111.13 98.95 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.702 0.763 . . . . 10.0 109.893 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.913 HG22 ' HB ' ' E' ' 32' ' ' ILE . 1.3 pt -123.5 130.54 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.359 -0.837 . . . . 10.0 111.367 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.28 128.98 7.98 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.467 -0.788 . . . . 10.0 112.188 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.32 95.63 5.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.2 mpt? -115.63 99.26 7.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.422 0.629 . . . . 10.0 111.262 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' C' ' 36' ' ' VAL . 40.3 t -107.83 128.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.239 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' C' ' 37' ' ' GLY . . . -129.62 133.11 7.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.638 -0.791 . . . . 10.0 112.472 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.08 136.42 5.97 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.659 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' E' ' 39' ' ' VAL . 2.2 m -129.36 152.45 37.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . 0.519 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.3 p -156.36 153.88 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 10.0 111.656 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ILE . . . . . 0.56 HD11 HG12 ' M' ' 31' ' ' ILE . 18.3 mm -74.0 130.67 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.6 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.84 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . 0.94 ' HA ' HG22 ' F' ' 12' ' ' VAL . 6.1 mp0 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.704 0.764 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.38 130.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.876 -1.057 . . . . 10.0 111.725 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.43 108.75 8.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -97.64 112.97 24.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.035 0.445 . . . . 10.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' D' ' 15' ' ' GLN . 2.1 tt0 -118.07 115.08 24.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.55 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -122.3 120.81 35.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.259 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 41.9 mt -120.64 108.97 14.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.771 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.0 m -125.08 126.55 71.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.275 0.559 . . . . 10.0 112.508 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.402 ' CE2' HG21 ' E' ' 32' ' ' ILE . 24.3 m-85 -121.04 122.89 41.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.602 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.449 ' HA ' ' HB2' ' D' ' 20' ' ' PHE . 55.5 m-85 -105.58 99.56 9.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.071 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 105.99 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 10.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.15 135.72 54.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.132 0.491 . . . . 10.0 111.935 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 149.11 43.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.194 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.6 OUTLIER -140.71 19.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.16 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.84 -53.49 0.01 OUTLIER Glycine 0 C--N 1.333 0.415 0 C-N-CA 119.664 -1.255 . . . . 10.0 114.419 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.4 p -163.74 118.57 1.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.05 0.425 . . . . 10.0 110.581 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -79.31 156.16 28.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.571 . . . . 10.0 112.065 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.7 tttt -141.96 -117.64 0.11 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.22 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -165.69 109.92 0.38 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.384 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.488 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -82.51 153.38 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.648 HG12 HD11 ' L' ' 41' ' ' ILE . 0.6 OUTLIER -111.12 95.79 4.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . 0.913 ' HB ' HG22 ' D' ' 32' ' ' ILE . 25.2 mt -124.2 125.67 70.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.585 -0.446 . . . . 10.0 111.424 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.21 4.03 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.558 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.64 ' HG ' HD23 ' F' ' 34' ' ' LEU . 6.1 mp -109.46 106.55 16.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . 0.508 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 mpt? -121.59 100.13 6.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.1 t -108.07 116.76 52.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . 0.849 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -121.95 124.25 5.7 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.96 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.47 129.04 6.31 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.068 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . 0.558 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.4 p -117.73 115.0 47.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.098 0.475 . . . . 10.0 110.631 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . 0.519 ' HB ' HG23 ' D' ' 40' ' ' VAL . 25.7 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.115 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.075 0.464 . . . . 10.0 110.091 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . 0.991 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.0 t -118.54 114.56 45.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.345 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -87.69 127.96 35.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.051 0.453 . . . . 10.0 111.606 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -123.77 105.18 9.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.377 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 2.3 tt0 -110.99 119.25 38.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.901 0.382 . . . . 10.0 110.859 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -130.38 114.76 15.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.353 0.597 . . . . 10.0 111.751 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.44 118.68 36.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.571 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . 0.828 ' HB ' HG12 ' G' ' 18' ' ' VAL . 13.4 t -123.84 115.06 43.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.727 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.7 126.68 54.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.661 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -105.52 129.29 53.83 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.733 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 86.1 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.438 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' G' ' 22' ' ' GLU . 5.4 pt-20 -109.48 110.99 22.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.152 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' F' ' 27' ' ' ASN . 44.4 m-20 -114.42 119.22 36.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.055 0.455 . . . . 10.0 110.346 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' G' ' 24' ' ' VAL . 32.8 m -100.79 10.34 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.387 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.8 -82.09 0.84 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 p -150.18 100.26 2.89 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.592 -0.522 . . . . 10.0 109.592 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' E' ' 28' ' ' LYS . 1.2 m120 -61.76 142.36 57.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.784 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . 0.654 ' HA ' ' HD3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -123.59 -62.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.592 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 131.29 118.61 2.01 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.114 -1.041 . . . . 10.0 113.752 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -93.89 166.08 12.35 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.599 HG12 HG13 ' N' ' 39' ' ' VAL . 14.7 tt -111.45 113.36 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.759 0.79 . . . . 10.0 111.342 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' E' ' 32' ' ' ILE . 18.1 mt -120.11 125.0 73.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.738 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.5 113.21 2.95 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.64 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.3 mm? -105.11 98.55 8.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.5 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.8 mpt? -116.04 99.49 7.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.205 0.526 . . . . 10.0 110.974 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.09 132.67 53.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.022 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . 0.53 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -133.62 138.28 9.98 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.576 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.88 134.0 6.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.298 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . 0.644 HG13 HG12 ' N' ' 31' ' ' ILE . 47.8 t -125.8 127.09 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.7 p -150.27 129.38 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 41' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' H' ' 42' ' ' ALA . 8.7 pt -76.41 139.22 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.921 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.416 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.096 0.474 . . . . 10.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . 0.991 HG12 ' HB ' ' F' ' 12' ' ' VAL . 8.1 m -130.02 134.18 63.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.127 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 5.2 t60 -94.05 102.3 14.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -92.36 120.46 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.59 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 0.0 OUTLIER -117.24 99.94 7.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -111.62 111.41 22.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 10.0 111.211 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -114.8 117.65 31.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . 0.828 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.7 m -130.53 130.29 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -125.44 122.29 36.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.293 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.74 105.84 16.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.598 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.21 117.95 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.177 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' F' ' 22' ' ' GLU . 3.5 pt-20 -134.57 133.3 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.386 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HB2' ' H' ' 27' ' ' ASN . 4.3 t70 -118.87 138.41 52.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.868 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.537 ' HA ' HG22 ' F' ' 24' ' ' VAL . 10.5 t -117.25 1.18 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.286 0.565 . . . . 10.0 110.22 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -126.54 -73.28 0.19 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.378 -0.915 . . . . 10.0 113.141 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -157.3 110.73 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . 0.861 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 22.3 t-20 -63.49 148.94 47.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 14.8 tttp -124.82 -80.27 0.62 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.716 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 161.69 114.33 0.33 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.851 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.9 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.096 0.158 . . . . 10.0 110.641 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 38.0 mt -107.32 97.39 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 38.0 mt -112.15 114.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.427 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.69 125.75 6.24 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.058 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' H' ' 34' ' ' LEU . 5.0 mp -124.11 109.37 13.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.842 0.353 . . . . 10.0 110.28 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.765 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.4 mpt? -120.83 104.4 9.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.057 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.88 114.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.254 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . 0.763 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -125.28 127.99 6.45 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.238 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.5 138.87 9.3 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.499 -0.858 . . . . 10.0 112.353 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . 0.617 HG12 ' HB ' ' F' ' 39' ' ' VAL . 21.4 m -124.67 139.6 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 10.0 110.698 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 3.8 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.229 -0.286 . . . . 10.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -76.2 133.15 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.619 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 27.6 t60 -72.52 138.62 47.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.959 0.726 . . . . 10.0 112.959 -177.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -123.46 95.53 4.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.859 . . . . 10.0 108.745 178.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -93.24 126.41 38.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.878 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -133.69 120.41 20.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.399 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.191 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 t -115.54 117.9 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.244 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.59 133.61 52.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.075 0.464 . . . . 10.0 111.036 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.34 133.77 52.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.029 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.68 70.96 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.796 -0.816 . . . . 10.0 108.796 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 22' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' H' ' 22' ' ' GLU . 0.0 OUTLIER -100.43 148.95 24.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.609 -178.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . 0.414 ' O ' HG23 ' G' ' 24' ' ' VAL . 3.6 t70 -145.8 141.21 27.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.196 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.25 31.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 10.0 110.736 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . 0.55 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -151.42 -64.68 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.607 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -153.39 92.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.861 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.5 t-20 -47.95 123.95 6.83 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 123.597 0.56 . . . . 10.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -104.63 -80.8 0.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.231 0.539 . . . . 10.0 109.989 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.27 112.8 2.46 Favored Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.425 -0.807 . . . . 10.0 112.3 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.57 -179.28 4.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.576 0.227 . . . . 10.0 110.551 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.77 116.0 46.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.125 0.488 . . . . 10.0 110.743 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -122.75 116.79 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.576 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.73 115.74 3.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.049 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' G' ' 34' ' ' LEU . 3.2 mm? -102.88 99.57 9.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 35' ' ' MET . . . . . 0.438 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 6.2 mtm -109.81 103.8 12.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.26 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.29 129.45 66.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.352 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . 0.612 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.03 138.48 10.17 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.041 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.38 130.09 4.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.638 -0.585 . . . . 10.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.486 ' HB ' HD11 ' P' ' 31' ' ' ILE . 0.9 OUTLIER -126.96 135.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -172.42 165.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.9 169.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 42' ' ' ALA . . . . . 0.593 ' HB3' HD11 ' F' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.777 -0.63 . . . . 10.0 109.906 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . 0.46 ' HB3' HG22 ' J' ' 12' ' ' VAL . 3.3 mm-40 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.11 0.481 . . . . 10.0 110.614 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . 0.493 HG12 ' H ' ' I' ' 13' ' ' HIS . 0.2 OUTLIER -108.8 175.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.564 -176.758 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . 0.493 ' H ' HG12 ' I' ' 12' ' ' VAL . 4.2 t60 -95.53 122.27 38.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.586 -1.188 . . . . 10.0 108.711 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -103.46 100.15 10.0 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -118.95 119.71 35.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.797 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -139.25 125.45 20.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.65 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . 0.451 HD22 HD23 ' I' ' 34' ' ' LEU . 3.9 mp -116.23 101.96 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -111.47 121.22 63.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.487 0.66 . . . . 10.0 112.504 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -113.88 120.04 39.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.193 -0.912 . . . . 10.0 109.647 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.91 109.11 17.64 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.997 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.91 137.74 44.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.817 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 22' ' ' GLU . . . . . 0.729 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 25.7 mm-40 -86.66 167.26 14.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.169 0.509 . . . . 10.0 111.104 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -142.64 89.63 2.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.783 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 48.6 t -127.05 -46.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 10.0 110.131 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . 0.606 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -88.06 -156.4 30.49 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.866 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 26' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -67.28 129.52 40.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.363 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -65.04 152.66 42.9 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.031 0.752 . . . . 10.0 113.031 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' I' ' 28' ' ' LYS . 6.6 tptm -162.15 -144.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.656 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.57 132.32 3.06 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.159 -1.019 . . . . 10.0 113.409 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.698 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -88.44 139.17 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.351 . . . . 10.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD13 ' J' ' 31' ' ' ILE . 31.2 mm -87.37 90.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.161 0.505 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.4 pt -104.82 128.38 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.075 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 94.36 0.7 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 121.1 -0.571 . . . . 10.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.451 HD23 HD22 ' I' ' 17' ' ' LEU . 6.7 mp -88.53 99.16 12.08 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 35' ' ' MET . . . . . 0.553 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.4 mpt? -130.18 68.32 1.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.264 0.554 . . . . 10.0 111.243 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.79 123.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.398 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.21 108.09 1.57 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.987 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' J' ' 38' ' ' GLY . . . -131.56 122.26 3.36 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.423 HG12 HG12 ' J' ' 39' ' ' VAL . 14.8 p -145.63 138.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.011 0.434 . . . . 10.0 111.034 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.376 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.022 0.439 . . . . 10.0 109.929 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . 0.639 ' HB ' HG12 ' K' ' 12' ' ' VAL . 0.2 OUTLIER -109.23 87.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 107.786 -1.191 . . . . 10.0 107.786 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -73.0 117.04 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.667 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -115.96 88.88 2.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.048 0.451 . . . . 10.0 110.268 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' K' ' 15' ' ' GLN . 10.3 tt0 -115.39 116.09 27.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.912 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -127.32 129.24 47.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.523 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . 0.425 ' HB3' ' HE1' ' J' ' 19' ' ' PHE . 6.2 mp -110.1 110.94 22.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.081 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 4.0 t -114.3 117.78 56.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.168 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.425 ' HE1' ' HB3' ' J' ' 17' ' ' LEU . 67.0 m-85 -119.95 115.3 23.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.177 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -104.08 114.58 28.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.02 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.54 111.01 15.77 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 22' ' ' GLU . . . . . 0.594 ' HG2' ' HG3' ' I' ' 22' ' ' GLU . 52.7 mt-10 -92.47 152.23 19.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . 0.729 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 m-20 -141.41 59.36 1.51 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.981 0.419 . . . . 10.0 110.3 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.783 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 38.4 t -76.26 -19.07 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.331 0.586 . . . . 10.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.73 -61.63 0.95 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.577 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 26' ' ' SER . . . . . 0.606 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 48.8 p -169.62 127.63 0.93 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . 0.571 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 9.8 m120 -68.23 152.11 45.94 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 4.1 tptt -145.14 -90.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.157 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.43 103.15 0.17 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.767 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.493 ' HA ' ' CA ' ' K' ' 29' ' ' GLY . . . -88.1 153.26 21.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.597 0.237 . . . . 10.0 110.704 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.781 HG13 ' HA ' ' B' ' 41' ' ' ILE . 22.0 mm -97.01 100.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 32.0 mt -113.32 108.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.075 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.22 117.36 5.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 10.0 111.581 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.04 85.92 2.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.0 mpt? -118.44 85.28 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.459 0.647 . . . . 10.0 111.239 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . 0.506 HG13 ' HB ' ' K' ' 36' ' ' VAL . 34.1 t -97.26 130.37 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.287 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.17 123.64 5.49 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.631 -0.795 . . . . 10.0 112.353 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' K' ' 38' ' ' GLY . . . -142.7 116.13 1.0 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.167 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' K' ' 39' ' ' VAL . 28.6 m -125.27 141.23 45.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 10.0 110.581 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -127.77 137.54 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.896 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 41' ' ' ILE . . . . . 0.81 ' HA ' HG13 ' B' ' 31' ' ' ILE . 18.2 tt -64.21 130.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 10.0 111.158 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.675 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' K' K ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.338 0.59 . . . . 10.0 111.254 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 12' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' J' ' 12' ' ' VAL . 4.8 m -91.42 116.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 10.0 112.521 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -87.38 99.62 12.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -85.68 112.74 21.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.158 0.504 . . . . 10.0 111.933 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 15' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 15.0 tt0 -128.71 91.09 3.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.101 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.74 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -116.59 114.41 24.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' L' ' 18' ' ' VAL . 7.1 p -135.16 131.51 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.005 0.742 . . . . 10.0 113.005 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -121.33 128.37 52.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.883 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -110.32 104.34 13.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.692 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.62 113.11 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 22' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 51.2 mt-10 -105.63 146.98 28.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.918 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' J' ' 22' ' ' GLU . 2.4 t70 -139.45 126.29 20.83 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.016 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 12.1 m -137.6 14.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' L' ' 25' ' ' GLY . . . -130.11 -70.07 0.11 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.075 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.93 82.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 0.124 . . . . 10.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 27' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' J' ' 26' ' ' SER . 58.6 t30 -50.01 144.23 7.04 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 28' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' J' ' 28' ' ' LYS . 29.3 tttt -129.77 -105.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.485 -0.779 . . . . 10.0 111.03 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 29' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' J' ' 30' ' ' ALA . . . -168.27 110.24 0.38 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 119.999 -1.096 . . . . 10.0 113.431 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 30' ' ' ALA . . . . . 0.525 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.89 148.13 27.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 31' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' L' ' 31' ' ' ILE . 0.1 OUTLIER -102.43 90.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' K' K ' 32' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' L' ' 32' ' ' ILE . 34.7 pt -112.9 131.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 10.0 111.795 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.22 115.22 2.47 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.009 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.54 96.87 6.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.006 0.431 . . . . 10.0 110.154 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' K' K ' 35' ' ' MET . . . . . 0.547 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 4.1 mpp? -119.77 95.47 4.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.241 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 36' ' ' VAL . . . . . 0.506 ' HB ' HG13 ' J' ' 36' ' ' VAL . 40.7 t -102.24 121.98 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.563 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 37' ' ' GLY . . . . . 0.441 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -115.88 116.15 3.57 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.965 -0.636 . . . . 10.0 112.378 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 38' ' ' GLY . . . . . 0.46 ' O ' ' HA2' ' J' ' 38' ' ' GLY . . . -129.23 124.69 4.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.69 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' J' ' 39' ' ' VAL . 7.7 p -125.29 121.42 60.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.389 0.614 . . . . 10.0 111.024 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.009 -179.222 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' L' L ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 31.7 mt-10 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 12' ' ' VAL . . . . . 0.458 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 5.3 p -71.73 142.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 112.041 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -81.93 135.36 35.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.557 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -128.09 104.13 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.486 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 15' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 28.8 pt20 -125.83 138.42 53.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.387 0.613 . . . . 10.0 112.371 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -133.77 120.8 20.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.402 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -111.01 115.96 30.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.488 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 18' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' M' ' 18' ' ' VAL . 7.7 t -125.18 122.45 63.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.031 0.443 . . . . 10.0 111.12 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -119.21 122.81 42.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.308 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 98.1 m-85 -102.18 126.82 49.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.638 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.29 97.77 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -99.35 93.68 6.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 1.0 OUTLIER -87.35 114.53 24.05 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 179.59 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' L' L ' 24' ' ' VAL . . . . . 0.55 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 61.4 t -111.79 -25.45 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.828 0.347 . . . . 10.0 111.185 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -98.61 -118.94 4.04 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.6 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -100.16 95.39 6.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.21 145.03 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.608 0.567 . . . . 10.0 112.152 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 28' ' ' LYS . . . . . 0.777 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 27.6 tttm -136.2 -85.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.007 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 29' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 152.85 123.19 0.96 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.125 -1.035 . . . . 10.0 112.943 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 30' ' ' ALA . . . . . 0.55 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -92.21 159.04 15.83 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.162 -0.31 . . . . 10.0 110.162 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 31' ' ' ILE . . . . . 0.497 ' HB ' HD12 ' K' ' 31' ' ' ILE . 3.6 tp -111.21 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.692 0.758 . . . . 10.0 110.14 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 32' ' ' ILE . . . . . 0.828 HG22 ' HB ' ' M' ' 32' ' ' ILE . 6.0 pt -124.43 135.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.374 -0.83 . . . . 10.0 111.333 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.96 128.14 7.12 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.417 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.33 94.32 5.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 35' ' ' MET . . . . . 0.408 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 3.1 mpp? -114.09 96.93 6.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.479 0.657 . . . . 10.0 111.562 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 36' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' K' ' 36' ' ' VAL . 48.0 t -106.84 128.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 37' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' K' ' 37' ' ' GLY . . . -130.89 132.22 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.286 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.82 135.79 5.88 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.379 -0.915 . . . . 10.0 112.799 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' L' L ' 39' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' M' ' 39' ' ' VAL . 1.5 m -127.24 151.28 33.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 40' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' M' ' 40' ' ' VAL . 9.9 p -153.58 154.03 7.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.378 . . . . 10.0 111.686 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 41' ' ' ILE . . . . . 0.648 HD11 HG12 ' E' ' 31' ' ' ILE . 23.0 mm -72.57 131.49 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.945 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.463 179.538 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' M' M ' 11' ' ' GLU . . . . . 0.848 ' HA ' HG22 ' N' ' 12' ' ' VAL . 1.5 mp0 . . . . . 0 CA--C 1.524 -0.045 0 CA-C-O 121.482 0.658 . . . . 10.0 110.518 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 12' ' ' VAL . . . . . 0.415 HG12 HG12 ' L' ' 12' ' ' VAL . 27.8 m -73.1 131.31 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.769 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -73.43 118.08 15.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.601 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -102.89 110.33 22.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.223 0.535 . . . . 10.0 111.602 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 15' ' ' GLN . . . . . 0.478 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 0.7 OUTLIER -119.01 121.12 39.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.249 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -132.58 125.68 31.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.101 0.477 . . . . 10.0 111.258 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 33.2 mt -120.97 111.03 16.99 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.6 OUTLIER -124.7 126.24 71.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.27 0.557 . . . . 10.0 112.482 -178.726 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' M' M ' 19' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' M' ' 34' ' ' LEU . 26.7 m-85 -122.28 124.1 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.893 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 49.8 m-85 -106.91 100.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.46 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.11 108.94 20.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.19 132.45 56.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.821 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 143.19 51.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.223 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 24' ' ' VAL . . . . . 0.55 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -138.57 18.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.017 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 25' ' ' GLY . . . . . 0.486 ' O ' ' HA3' ' L' ' 25' ' ' GLY . . . -152.56 -67.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.621 -1.276 . . . . 10.0 114.253 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.9 121.51 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.544 -0.386 . . . . 10.0 110.297 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -84.56 150.96 24.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.142 0.496 . . . . 10.0 111.078 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 28' ' ' LYS . . . . . 0.777 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 2.1 tttt -139.94 -112.9 0.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.057 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 29' ' ' GLY . . . . . 0.55 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . -175.05 112.52 0.41 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.123 -1.037 . . . . 10.0 113.14 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 30' ' ' ALA . . . . . 0.481 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -83.68 154.18 23.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 31' ' ' ILE . . . . . 0.56 HG12 HD11 ' D' ' 41' ' ' ILE . 0.7 OUTLIER -109.57 96.02 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' M' M ' 32' ' ' ILE . . . . . 0.828 ' HB ' HG22 ' L' ' 32' ' ' ILE . 26.4 mt -122.36 126.45 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 10.0 111.095 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.23 114.25 2.44 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.852 -0.689 . . . . 10.0 111.877 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 34' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.0 mp -103.3 106.62 17.18 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 35' ' ' MET . . . . . 0.849 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.0 mmt -118.96 101.36 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.233 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 36' ' ' VAL . . . . . 0.42 HG11 HE22 ' M' ' 15' ' ' GLN . 31.1 t -109.7 117.72 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 37' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -122.85 123.59 5.4 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.529 -0.843 . . . . 10.0 112.741 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.64 128.08 5.61 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' M' M ' 39' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.3 p -117.97 114.06 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.274 0.559 . . . . 10.0 110.576 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' M' M ' 40' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' L' ' 40' ' ' VAL . 26.2 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.196 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.958 0.409 . . . . 10.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' N' N ' 12' ' ' VAL . . . . . 0.975 ' HB ' HG12 ' O' ' 12' ' ' VAL . 6.2 t -102.0 127.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.804 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -97.87 129.95 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.113 0.482 . . . . 10.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -124.32 114.41 19.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.163 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -122.71 114.22 20.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.867 0.365 . . . . 10.0 110.904 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -128.72 116.95 20.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.455 0.645 . . . . 10.0 111.914 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.91 118.13 35.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.174 -0.921 . . . . 10.0 109.405 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 18' ' ' VAL . . . . . 0.834 ' HB ' HG12 ' O' ' 18' ' ' VAL . 5.1 t -121.49 115.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.073 0.463 . . . . 10.0 110.416 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.29 125.41 51.03 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.595 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.26 86.35 2.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -109.48 116.51 31.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.062 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' O' ' 23' ' ' ASP . 43.3 m-20 -116.76 118.66 33.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 24' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' O' ' 24' ' ' VAL . 32.7 m -98.71 9.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.64 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.28 -86.43 1.1 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.728 -0.749 . . . . 10.0 111.603 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.76 102.67 3.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.825 -0.435 . . . . 10.0 109.825 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 27' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' M' ' 28' ' ' LYS . 1.4 m120 -63.32 145.68 55.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.898 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' M' ' 28' ' ' LYS . 0.0 OUTLIER -127.49 -65.5 0.93 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.706 -0.85 . . . . 10.0 108.706 178.618 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' N' N ' 29' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 133.98 120.22 2.06 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 119.962 -1.113 . . . . 10.0 113.538 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 30' ' ' ALA . . . . . 0.486 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -95.47 165.89 12.13 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 31' ' ' ILE . . . . . 0.644 HG12 HG13 ' F' ' 39' ' ' VAL . 12.6 tt -110.99 113.82 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.821 0.82 . . . . 10.0 111.236 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 32' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' M' ' 32' ' ' ILE . 16.6 mt -120.07 122.31 68.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.642 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.44 113.56 3.28 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 111.381 -0.688 . . . . 10.0 111.381 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 34' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.3 mm? -104.62 101.88 11.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 35' ' ' MET . . . . . 0.53 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 1.8 mpt? -118.79 100.32 7.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.194 0.521 . . . . 10.0 111.037 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 t -110.32 130.36 63.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.914 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -134.52 134.28 7.29 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.691 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.11 135.41 7.89 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' N' N ' 39' ' ' VAL . . . . . 0.599 HG13 HG12 ' F' ' 31' ' ' ILE . 46.2 t -125.59 126.62 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 40' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 5.3 p -150.22 131.84 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 41' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' P' ' 42' ' ' ALA . 8.9 pt -80.42 135.29 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.561 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.234 0.54 . . . . 10.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' O' O ' 12' ' ' VAL . . . . . 0.975 HG12 ' HB ' ' N' ' 12' ' ' VAL . 11.0 m -123.67 131.34 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.283 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.42 102.59 15.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.813 -1.18 . . . . 10.0 107.813 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.81 110.44 22.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.12 0.486 . . . . 10.0 112.071 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.98 100.76 10.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -112.27 111.75 22.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.915 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -115.85 118.57 33.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 18' ' ' VAL . . . . . 0.834 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.8 m -130.37 131.53 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.786 0.662 . . . . 10.0 112.786 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -126.49 123.9 38.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.075 -0.966 . . . . 10.0 109.147 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.97 105.44 15.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.901 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.07 119.15 34.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 22' ' ' GLU . . . . . 0.686 ' HG3' ' HB3' ' P' ' 22' ' ' GLU . 1.6 pt-20 -137.69 129.0 27.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.564 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 23' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' P' ' 27' ' ' ASN . 4.7 t70 -112.74 143.08 44.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.991 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 24' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' N' ' 24' ' ' VAL . 24.5 t -119.62 -1.28 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.374 0.607 . . . . 10.0 110.162 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 25' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -127.67 -69.42 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.325 -0.941 . . . . 10.0 113.491 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -157.21 110.84 2.59 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.754 -0.263 . . . . 10.0 110.772 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 27' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 22.2 t-20 -64.07 148.9 48.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.252 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 28' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 56.2 tttp -126.02 -77.5 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.565 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 159.07 114.31 0.38 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.894 -1.146 . . . . 10.0 112.942 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.16 163.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 40.9 mt -109.35 98.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -111.55 115.46 49.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.289 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 33' ' ' GLY . . . . . 0.424 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.6 122.65 5.22 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.323 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.13 107.54 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 35' ' ' MET . . . . . 0.763 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 2.2 mpt? -118.57 103.47 9.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.407 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -113.2 115.63 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.842 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 37' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -129.77 121.55 3.47 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.029 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 139.19 10.52 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.428 -0.892 . . . . 10.0 112.956 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' O' O ' 39' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' N' ' 39' ' ' VAL . 19.5 m -120.4 143.66 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.855 0.36 . . . . 10.0 110.336 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' O' O ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.6 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.808 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 12' ' ' VAL . . . . . 0.557 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -79.77 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -67.52 133.18 49.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -114.93 96.19 5.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -94.21 121.93 36.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.022 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -133.02 113.83 13.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.474 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.0 119.15 33.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.781 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.81 124.44 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.529 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -130.59 137.11 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 10.0 110.841 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -113.79 130.03 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.75 73.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 22' ' ' GLU . . . . . 0.686 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -103.49 151.65 22.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.747 -179.306 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 23' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' P' ' 25' ' ' GLY . 0.4 OUTLIER -144.89 148.2 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.246 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 24' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.4 t -122.48 13.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 10.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 25' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -130.03 -62.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.508 -0.854 . . . . 10.0 112.248 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -159.43 98.19 1.39 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 27' ' ' ASN . . . . . 0.816 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 38.9 t-20 -49.07 119.62 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.826 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' O' ' 28' ' ' LYS . 42.3 tttp -95.33 -87.29 0.28 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.232 0.539 . . . . 10.0 110.31 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.3 1.59 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.904 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.27 176.25 5.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 31' ' ' ILE . . . . . 0.486 HD11 ' HB ' ' H' ' 39' ' ' VAL . 0.0 OUTLIER -103.91 115.68 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.05 0.452 . . . . 10.0 110.581 179.415 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mt -121.5 118.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.375 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' CG1' ' H' ' 39' ' ' VAL . . . -116.32 121.18 5.12 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.589 -0.815 . . . . 10.0 112.816 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 34' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' P' ' 34' ' ' LEU . 2.7 mm? -111.15 87.43 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.361 . . . . 10.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 35' ' ' MET . . . . . 0.612 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 4.7 mpp? -97.54 101.31 12.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.992 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 37.5 t -109.37 122.17 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.834 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 37' ' ' GLY . . . . . 0.438 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -119.3 154.93 16.26 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.318 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.77 132.31 3.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.117 -0.563 . . . . 10.0 111.808 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 39' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' P' ' 40' ' ' VAL . 0.8 OUTLIER -132.41 143.7 39.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.66 0.267 . . . . 10.0 111.613 -179.418 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' P' P ' 40' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' P' ' 39' ' ' VAL . 7.2 p 177.48 164.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.47 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -169.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.159 -0.312 . . . . 10.0 110.159 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' P' P ' 42' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.742 -0.647 . . . . 10.0 109.755 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.526 0.203 . . . . 10.0 110.593 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 6.8 t60 -66.89 117.55 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.874 -0.788 . . . . 10.0 108.874 178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.67 84.97 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.128 0.489 . . . . 10.0 111.461 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HB2' ' CD2' ' A' ' 13' ' ' HIS . 50.4 tp60 -97.13 119.29 35.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -130.18 121.52 26.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.963 0.411 . . . . 10.0 111.565 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' A' ' 34' ' ' LEU . 18.8 mt -121.17 109.8 15.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.56 -0.904 . . . . 10.0 108.56 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.33 130.38 67.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -121.72 120.75 35.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.394 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.06 109.57 19.04 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.003 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -110.0 136.36 49.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.192 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.765 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.8 mm-40 -87.35 167.99 13.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.088 0.471 . . . . 10.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -144.2 94.17 2.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.572 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 43.0 t -132.21 -40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 110.189 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.94 -154.84 30.94 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.421 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.9 OUTLIER -74.26 125.48 28.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.63 -0.137 . . . . 10.0 110.63 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -59.32 149.82 27.8 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 30.8 tptt -150.71 -108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.628 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.479 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 165.01 125.06 0.74 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.368 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.7 153.6 20.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.696 0.284 . . . . 10.0 111.246 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.671 ' HB ' HD13 ' B' ' 31' ' ' ILE . 36.8 mm -103.89 98.34 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.244 0.545 . . . . 10.0 110.145 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' HB ' ' B' ' 32' ' ' ILE . 21.0 pt -111.27 135.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.57 96.65 0.54 Allowed Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.147 -0.781 . . . . 10.0 111.147 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD23 HD13 ' A' ' 17' ' ' LEU . 7.4 mp -92.02 85.81 5.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.503 . . . . 10.0 111.37 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.44 65.62 0.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.518 0.675 . . . . 10.0 110.35 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.45 124.42 39.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.06 123.09 6.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.05 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.52 106.57 0.37 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.365 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.88 140.2 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 10.0 110.944 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' B' ' 40' ' ' VAL . 61.9 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.492 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 . . . . . 0 C--O 1.234 0.25 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -97.99 125.04 42.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.713 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -133.01 122.24 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.663 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.492 ' HB2' HD23 ' A' ' 17' ' ' LEU . 7.2 mp -112.51 115.18 28.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.704 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.5 t -119.41 118.9 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.003 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.34 121.36 38.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 10.0 111.617 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.7 125.48 51.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.88 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -134.39 107.62 7.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 mt-10 -88.9 154.51 20.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.701 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.5 m-20 -144.48 58.35 1.32 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 62.4 t -76.54 -25.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.97 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 -62.42 1.3 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.178 -1.01 . . . . 10.0 111.335 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.709 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 21.9 p -166.99 124.02 1.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.701 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 9.7 m120 -61.98 153.02 30.65 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.614 0.571 . . . . 10.0 110.531 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 21.4 tptt -147.74 -111.5 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.714 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.642 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -179.24 105.59 0.2 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.767 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -88.13 156.45 19.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.574 0.226 . . . . 10.0 110.633 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.918 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.0 mm -100.53 101.97 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.475 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -116.2 106.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.748 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.96 115.8 5.4 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.809 -0.71 . . . . 10.0 112.012 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -110.27 90.61 3.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.466 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 1.5 mpt? -121.26 78.98 1.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.328 0.585 . . . . 10.0 111.134 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.691 HG13 ' HB ' ' C' ' 36' ' ' VAL . 44.7 t -96.81 130.84 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.143 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.75 122.45 5.02 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.826 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -136.25 116.69 1.49 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.881 -0.676 . . . . 10.0 111.553 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' C' ' 39' ' ' VAL . 34.8 m -129.41 143.54 40.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.032 0.444 . . . . 10.0 110.688 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' A' ' 40' ' ' VAL . 41.5 t -130.09 140.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.937 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.937 ' HA ' HG13 ' J' ' 31' ' ' ILE . 7.2 tp -62.2 135.38 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.045 0.45 . . . . 10.0 111.094 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.585 179.699 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.728 0.775 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -84.27 120.75 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.994 -1.003 . . . . 10.0 111.762 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -74.35 87.05 2.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.383 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.1 m170 -74.44 112.93 11.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.247 0.546 . . . . 10.0 111.651 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -124.05 100.1 6.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.23 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -110.43 118.17 35.56 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.011 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.464 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 52.5 mt -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.998 -1.112 . . . . 10.0 107.998 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' D' ' 18' ' ' VAL . 9.8 p -131.28 131.73 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 113.075 0.768 . . . . 10.0 113.075 -178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 16.2 m-85 -122.08 129.1 52.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.732 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.37 97.43 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.178 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 112.62 25.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.869 0.366 . . . . 10.0 110.168 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 53.2 mt-10 -103.7 153.79 20.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.053 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.564 ' HB2' HD21 ' D' ' 27' ' ' ASN . 2.6 t70 -146.52 124.89 12.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.832 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' D' ' 24' ' ' VAL . 1.7 m -138.93 19.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.78 -64.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.481 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -170.58 82.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.796 0.298 . . . . 10.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 58.2 t30 -52.29 145.0 11.7 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 69.0 tttt -132.03 -105.87 0.26 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -162.64 107.46 0.31 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.394 -1.384 . . . . 10.0 113.963 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -80.23 147.77 31.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' D' ' 31' ' ' ILE . 0.5 OUTLIER -107.91 92.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.111 0.481 . . . . 10.0 110.217 -179.207 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.822 HG22 ' HB ' ' D' ' 32' ' ' ILE . 15.4 pt -116.3 132.53 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.406 0.622 . . . . 10.0 112.138 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.73 114.47 2.45 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.321 -0.854 . . . . 10.0 111.584 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.463 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.4 mp -106.49 102.54 11.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.79 0.328 . . . . 10.0 110.372 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 2.2 mpt? -124.92 91.84 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 10.0 110.957 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.691 ' HB ' HG13 ' B' ' 36' ' ' VAL . 46.4 t -98.61 123.8 51.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.98 122.04 5.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.703 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . 0.422 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -135.7 124.58 3.34 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.077 -0.582 . . . . 10.0 112.034 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' B' ' 39' ' ' VAL . 4.4 p -130.12 121.16 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.436 0.636 . . . . 10.0 111.023 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' D' ' 42' ' ' ALA . 28.6 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.692 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 4.8 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -104.91 131.22 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 10.0 111.651 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' HIS . . . . . 0.625 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 5.2 t-160 -86.78 126.83 34.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.56 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 14' ' ' HIS . . . . . 0.532 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 96.8 m-70 -124.6 98.42 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -109.33 128.89 55.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.141 0.496 . . . . 10.0 111.503 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -131.56 114.98 15.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.053 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -110.84 115.34 29.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.38 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' C' ' 18' ' ' VAL . 11.9 t -124.14 122.75 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.821 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 41.3 m-85 -121.4 126.6 49.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.593 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.49 127.56 53.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.48 98.04 4.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -102.06 90.69 4.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.853 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -84.66 113.54 21.35 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.496 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.8 t -111.25 -30.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.98 -94.12 0.99 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.372 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.442 ' C ' HD22 ' E' ' 27' ' ' ASN . 23.6 m -132.6 103.33 6.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.564 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -56.01 149.66 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.652 -0.704 . . . . 10.0 112.132 -178.54 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 11.2 tttm -141.01 -78.51 0.28 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 10.0 111.114 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 150.91 119.82 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.553 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -99.81 164.31 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.494 0.187 . . . . 10.0 110.746 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.584 HD13 ' HB ' ' C' ' 31' ' ' ILE . 1.8 mm -105.07 115.81 47.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.822 ' HB ' HG22 ' C' ' 32' ' ' ILE . 76.5 mt -131.32 114.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.921 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -109.19 118.46 5.23 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.395 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.463 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.4 mm? -108.09 97.16 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.607 ' HB2' ' HG3' ' E' ' 35' ' ' MET . 1.7 mpt? -118.43 92.45 3.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.374 0.607 . . . . 10.0 111.045 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' C' ' 36' ' ' VAL . 61.8 t -98.08 121.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.783 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.425 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -116.76 118.24 4.1 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.335 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.35 127.63 4.76 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' HA3' ' L' ' 33' ' ' GLY . 11.0 m -133.08 144.69 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.485 HG13 HG13 ' C' ' 40' ' ' VAL . 7.3 p -154.41 140.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.136 0.494 . . . . 10.0 111.985 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.414 HG12 HG23 ' M' ' 31' ' ' ILE . 18.0 mm -75.35 122.28 28.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.16 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ALA . . . . . 0.557 ' HB2' HG12 ' C' ' 40' ' ' VAL . . . . . . . . 0 C--O 1.238 0.455 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.206 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.586 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mp0 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.812 0.815 . . . . 10.0 109.785 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 12' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' D' ' 14' ' ' HIS . 29.1 m -78.03 145.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.391 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 13' ' ' HIS . . . . . 0.625 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 5.8 t60 -97.89 91.56 5.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -85.98 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.166 0.507 . . . . 10.0 111.014 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -119.27 105.84 11.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.43 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -119.23 120.99 38.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 10.0 112.049 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -120.76 109.8 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.703 -0.851 . . . . 10.0 108.703 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 t -125.24 128.08 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.113 0.482 . . . . 10.0 111.971 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.412 ' CE1' HD21 ' E' ' 34' ' ' LEU . 22.7 m-85 -123.41 125.63 45.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.92 106.88 17.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.05 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.96 104.2 11.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -113.44 139.52 48.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.578 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.57 145.63 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.648 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.474 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -142.02 20.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.878 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.76 -50.21 0.01 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 119.687 -1.244 . . . . 10.0 114.429 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.84 125.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.033 0.417 . . . . 10.0 110.98 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.442 HD22 ' C ' ' D' ' 26' ' ' SER . 5.2 m-80 -92.37 149.53 21.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.365 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.778 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 59.4 tttt -132.72 -92.38 0.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.23 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . 173.03 106.81 0.2 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.142 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.626 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.98 166.07 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.684 ' HB ' HD12 ' F' ' 31' ' ' ILE . 0.3 OUTLIER -120.48 90.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -113.88 121.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.015 0.436 . . . . 10.0 111.349 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 120.56 4.52 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.762 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.659 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.8 mp -114.07 100.19 8.2 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.607 ' HG3' ' HB2' ' D' ' 35' ' ' MET . 2.7 mpt? -122.16 100.65 7.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.27 0.557 . . . . 10.0 110.773 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.563 HG12 ' HB ' ' F' ' 36' ' ' VAL . 16.2 m -109.8 139.5 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.93 122.65 4.18 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.708 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.67 1.21 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.68 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.542 HG23 ' CG2' ' D' ' 39' ' ' VAL . 13.9 p -107.51 109.8 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.674 . . . . 10.0 110.737 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.235 0.31 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.887 -179.526 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' G' ' 11' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.102 0.477 . . . . 10.0 110.731 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.609 ' HB ' HG12 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -109.54 108.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.561 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -85.84 124.7 32.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.649 0.261 . . . . 10.0 111.225 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -126.0 90.19 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 10.0 110.12 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.474 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 7.1 tt0 -107.44 118.7 37.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.422 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' F' ' 16' ' ' LYS . 19.2 ptmt -131.79 122.23 25.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.529 0.681 . . . . 10.0 111.953 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -116.22 115.35 25.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.111 -0.95 . . . . 10.0 108.875 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.68 ' HB ' HG12 ' G' ' 18' ' ' VAL . 20.4 t -123.44 119.61 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.992 0.425 . . . . 10.0 110.634 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.441 ' HE2' HG21 ' G' ' 32' ' ' ILE . 18.9 m-85 -117.11 126.33 52.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.56 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.82 125.93 49.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.77 84.76 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -108.15 107.57 18.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.926 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.664 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 47.7 m-20 -106.89 124.45 49.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.036 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.454 HG22 ' O ' ' G' ' 23' ' ' ASP . 18.7 m -103.9 -0.9 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.525 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.53 -82.83 1.16 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.382 -0.913 . . . . 10.0 112.388 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -139.97 111.12 7.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -74.11 141.69 45.61 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' G' ' 28' ' ' LYS . 0.3 OUTLIER -122.58 -90.32 0.58 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 166.95 113.27 0.27 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.011 -1.09 . . . . 10.0 112.739 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.458 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -91.54 154.83 18.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.678 -0.489 . . . . 10.0 109.678 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.684 HD12 ' HB ' ' E' ' 31' ' ' ILE . 6.3 tp -100.59 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.621 0.724 . . . . 10.0 109.781 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.458 HG12 HD12 ' G' ' 32' ' ' ILE . 28.1 mt -115.18 123.65 71.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.756 . . . . 10.0 111.243 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.481 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -123.43 116.99 3.07 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.575 -0.61 . . . . 10.0 111.575 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.659 HD23 ' HG ' ' E' ' 34' ' ' LEU . 1.9 mm? -108.41 102.63 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.479 ' HG2' ' CA ' ' N' ' 37' ' ' GLY . 2.0 mpp? -117.37 101.95 8.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 10.0 111.126 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.563 ' HB ' HG12 ' E' ' 36' ' ' VAL . 59.4 t -111.89 124.51 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.831 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' N' ' 35' ' ' MET . . . -123.27 130.92 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.784 -0.722 . . . . 10.0 113.015 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 130.92 6.91 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.923 -0.656 . . . . 10.0 111.885 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.734 ' HB ' HG12 ' G' ' 39' ' ' VAL . 87.7 t -124.86 124.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 7.4 p -148.75 138.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 10.0 111.807 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.59 121.13 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.014 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.011 179.725 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 11' ' ' GLU . . . . . 0.461 ' C ' HG11 ' H' ' 12' ' ' VAL . 16.1 mm-40 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.194 0.521 . . . . 10.0 110.2 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.609 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.4 m -110.03 131.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -96.92 93.25 6.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.25 98.64 10.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.41 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 1.1 tt0 -106.87 95.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -110.41 117.47 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.8 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.627 HD13 HD23 ' G' ' 34' ' ' LEU . 21.6 mt -123.32 112.42 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.68 HG12 ' HB ' ' F' ' 18' ' ' VAL . 10.7 m -129.06 137.87 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.991 0.737 . . . . 10.0 112.991 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -126.1 128.64 47.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.199 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -109.9 108.42 18.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.518 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.12 121.47 36.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -133.3 129.5 37.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.664 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.1 t70 -101.54 148.66 24.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.723 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' F' ' 24' ' ' VAL . 38.3 t -124.41 -26.95 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 110.775 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -116.75 -64.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.473 -0.87 . . . . 10.0 113.147 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -159.57 116.81 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.903 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 16.7 t-20 -80.39 154.16 27.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 10.0 110.54 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 1.0 OUTLIER -123.58 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.017 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 161.21 119.01 0.5 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.238 -0.982 . . . . 10.0 112.99 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.33 160.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.816 HD12 ' HB ' ' H' ' 31' ' ' ILE . 21.6 mt -97.88 99.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.458 HD12 HG12 ' F' ' 32' ' ' ILE . 65.1 mt -110.32 106.86 21.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.908 0.385 . . . . 10.0 110.45 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.546 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -118.84 112.26 2.29 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.576 -0.821 . . . . 10.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.627 HD23 HD13 ' G' ' 17' ' ' LEU . 8.5 mp -110.4 109.75 20.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.828 0.347 . . . . 10.0 110.278 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.767 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 11.2 mmt -117.21 104.1 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.823 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -115.04 114.53 46.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.497 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.755 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -125.83 126.62 5.9 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.64 -0.791 . . . . 10.0 112.202 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.52 134.15 6.68 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.58 -0.819 . . . . 10.0 112.764 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.734 HG12 ' HB ' ' F' ' 39' ' ' VAL . 32.8 m -121.51 136.88 56.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.76 0.314 . . . . 10.0 110.684 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 2.1 p . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.517 0.198 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.588 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.92 143.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.86 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -63.47 122.44 16.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.61 112.82 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -115.16 126.87 55.12 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.063 0.459 . . . . 10.0 111.335 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -132.94 113.03 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.551 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' G' ' 17' ' ' LEU . 5.0 mp -123.93 111.98 16.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.885 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.441 HG13 HG23 ' G' ' 18' ' ' VAL . 18.0 t -119.83 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.228 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -127.54 132.07 49.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.8 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -110.37 131.98 54.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.19 87.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.867 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 151.85 22.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.769 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.82 155.44 32.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.98 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -134.34 9.88 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.845 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -170.04 -63.4 0.04 OUTLIER Glycine 0 C--N 1.331 0.255 0 C-N-CA 119.87 -1.157 . . . . 10.0 113.666 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -134.05 92.2 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.353 -0.498 . . . . 10.0 111.023 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.903 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 13.7 t-20 -66.03 138.17 57.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.846 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -121.78 -77.1 0.58 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.97 120.21 3.01 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.69 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 172.39 7.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.816 ' HB ' HD12 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -89.48 117.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.147 0.499 . . . . 10.0 111.095 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mt -124.53 109.66 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.946 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.37 122.79 5.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.034 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -112.73 106.95 15.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.705 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.3 mpp? -107.49 104.86 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.857 0.361 . . . . 10.0 110.743 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -105.36 126.09 60.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.251 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.659 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.69 132.93 7.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.341 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.39 134.74 7.33 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.114 -0.565 . . . . 10.0 112.28 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' P' ' 31' ' ' ILE . 2.7 m -131.67 139.2 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.459 0.171 . . . . 10.0 110.714 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.233 0.209 0 N-CA-C 108.561 -0.903 . . . . 10.0 108.561 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -96.21 92.9 6.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.227 0.537 . . . . 10.0 111.665 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -106.4 123.15 47.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.192 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -131.76 124.68 30.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.869 0.366 . . . . 10.0 111.407 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.541 HD13 HD23 ' I' ' 34' ' ' LEU . 25.2 mt -123.13 107.66 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.09 128.66 70.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.96 118.65 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.112 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.33 99.46 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.389 . . . . 10.0 111.341 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.51 129.44 49.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.823 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.816 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 3.8 mm-40 -84.73 173.33 10.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.085 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.494 ' HA ' HD21 ' J' ' 27' ' ' ASN . 39.5 t0 -153.42 90.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.788 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.809 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 47.0 t -123.09 -41.26 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.783 0.325 . . . . 10.0 110.295 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -86.93 -144.77 8.74 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.14 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 2.0 p -83.49 123.85 30.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.925 0.363 . . . . 10.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -57.75 149.92 21.02 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -150.49 -106.03 0.07 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.771 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.84 121.68 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.667 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.725 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.67 163.42 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.718 0.294 . . . . 10.0 111.353 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD13 ' J' ' 31' ' ' ILE . 41.5 mm -111.71 102.51 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 109.794 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.471 HG22 ' HB ' ' J' ' 32' ' ' ILE . 13.1 pt -115.14 123.11 70.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.544 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.42 93.83 0.79 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.424 -0.67 . . . . 10.0 111.424 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.541 HD23 HD13 ' I' ' 17' ' ' LEU . 6.8 mp -90.19 93.14 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.877 0.37 . . . . 10.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.413 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.3 mpt? -123.02 64.88 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' J' ' 36' ' ' VAL . 32.9 t -85.01 123.56 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.5 114.58 3.29 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.156 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 117.02 1.65 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.77 141.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.909 0.385 . . . . 10.0 111.125 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' J' ' 40' ' ' VAL . 57.5 t . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.516 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.3 m80 . . . . . 0 C--O 1.234 0.258 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -101.25 122.76 44.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.461 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -131.5 121.84 25.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.35 0.595 . . . . 10.0 111.743 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.2 mp -108.61 115.99 31.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.292 -0.867 . . . . 10.0 109.559 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 5.3 t -119.22 117.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.005 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -119.9 121.23 38.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.918 0.389 . . . . 10.0 111.617 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -105.82 126.75 52.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.508 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.63 105.89 6.03 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.816 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.5 mt-10 -88.17 154.99 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.682 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 7.6 m-20 -144.23 60.07 1.35 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.809 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 59.8 t -78.41 -24.76 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 111.087 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.16 -63.85 1.19 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.396 -0.907 . . . . 10.0 111.847 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.412 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 95.0 p -162.15 123.14 2.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.682 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 7.9 m120 -64.01 149.25 47.81 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.899 0.38 . . . . 10.0 110.106 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.656 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 10.9 tptt -144.69 -117.37 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.421 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.725 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -171.89 105.88 0.22 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.173 -1.013 . . . . 10.0 112.636 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -87.18 154.23 20.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.438 0.161 . . . . 10.0 110.574 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.937 HG13 ' HA ' ' B' ' 41' ' ' ILE . 16.6 mm -99.91 102.07 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.471 ' HB ' HG22 ' I' ' 32' ' ' ILE . 23.9 mt -115.96 108.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.604 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.41 113.76 4.76 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.676 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.8 91.6 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.456 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 1.8 mpt? -122.08 81.38 1.82 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.37 0.605 . . . . 10.0 111.049 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.595 HG13 ' HB ' ' K' ' 36' ' ' VAL . 47.2 t -98.57 131.4 45.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.26 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.99 122.29 5.04 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.561 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.77 113.51 1.05 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.827 -0.702 . . . . 10.0 111.799 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' K' ' 39' ' ' VAL . 34.5 m -128.22 144.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.055 0.455 . . . . 10.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' I' ' 40' ' ' VAL . 39.3 t -130.25 141.46 46.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.1 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.918 ' HA ' HG13 ' B' ' 31' ' ' ILE . 7.0 tp -63.11 132.93 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.936 0.398 . . . . 10.0 111.173 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.142 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.381 0.61 . . . . 10.0 110.606 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.01 128.68 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 10.0 112.358 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -84.17 91.46 7.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.151 -0.931 . . . . 10.0 108.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -75.36 109.33 8.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.271 0.558 . . . . 10.0 112.139 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -120.4 98.77 6.21 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -111.18 118.93 37.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.938 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 43.0 mt -119.86 112.22 18.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' L' ' 18' ' ' VAL . 9.1 p -133.51 131.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 15.1 m-85 -121.21 128.63 52.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.754 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -110.1 98.83 8.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.838 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.65 112.66 25.48 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 22.6 mt-10 -105.16 154.47 20.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.209 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.645 ' HB2' HD21 ' L' ' 27' ' ' ASN . 2.7 t70 -147.12 122.68 10.44 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.316 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 5.6 m -136.11 15.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.71 -63.32 0.12 Allowed Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.326 -0.852 . . . . 10.0 112.674 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.4 p -175.94 85.27 0.03 OUTLIER 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.269 -0.271 . . . . 10.0 110.269 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 59.8 t30 -53.44 146.55 12.35 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 31.7 tttt -133.06 -103.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.753 . . . . 10.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -165.21 107.92 0.31 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.356 -1.402 . . . . 10.0 114.13 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -80.6 146.25 31.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.616 ' HB ' HD13 ' L' ' 31' ' ' ILE . 0.4 OUTLIER -106.07 92.0 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.182 0.515 . . . . 10.0 109.983 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.856 HG22 ' HB ' ' L' ' 32' ' ' ILE . 13.1 pt -115.46 131.03 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.346 0.594 . . . . 10.0 112.208 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.43 115.07 2.73 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.534 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.459 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -107.38 102.67 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.879 0.371 . . . . 10.0 110.189 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.456 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 2.2 mpt? -124.74 91.7 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.273 0.558 . . . . 10.0 110.886 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.595 ' HB ' HG13 ' J' ' 36' ' ' VAL . 49.2 t -98.75 125.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.39 120.69 4.79 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.514 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.72 124.07 3.35 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.076 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' J' ' 39' ' ' VAL . 4.4 p -129.05 120.4 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.354 0.597 . . . . 10.0 111.042 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' K' K ' 40' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' L' ' 42' ' ' ALA . 25.7 t . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.726 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.213 0.054 . . . . 10.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 p -112.26 130.23 66.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.843 0.354 . . . . 10.0 110.576 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 13' ' ' HIS . . . . . 0.489 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 9.5 t-160 -87.58 132.25 34.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.252 0.549 . . . . 10.0 112.283 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -130.38 97.79 4.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.912 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.098 0.475 . . . . 10.0 111.166 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -134.31 114.02 12.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.4 mp -110.7 115.39 29.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.665 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' K' ' 18' ' ' VAL . 8.4 t -123.72 121.4 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.632 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 38.0 m-85 -120.54 124.71 46.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.493 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.38 125.51 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.194 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.49 96.34 4.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -100.62 86.51 3.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.541 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 23' ' ' ASP . . . . . 0.596 ' HA ' HD21 ' M' ' 27' ' ' ASN . 0.7 OUTLIER -80.22 119.49 23.05 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 80.4 t -120.03 -28.11 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.847 0.356 . . . . 10.0 111.685 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.2 -78.73 1.28 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.324 -0.941 . . . . 10.0 112.825 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -152.47 99.64 2.5 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 27' ' ' ASN . . . . . 0.645 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -52.88 147.65 8.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 10.0 112.176 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 15.2 tttm -137.98 -79.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.856 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 29' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 157.57 117.23 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.058 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -102.95 160.82 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.404 0.145 . . . . 10.0 110.678 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.616 HD13 ' HB ' ' K' ' 31' ' ' ILE . 2.8 mm -103.04 116.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.52 0.512 . . . . 10.0 110.044 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.856 ' HB ' HG22 ' K' ' 32' ' ' ILE . 86.9 mt -131.87 114.22 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.676 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 33' ' ' GLY . . . . . 0.638 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -109.97 119.43 5.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.488 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.3 mm? -109.3 97.03 6.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.619 ' HB2' ' HG3' ' M' ' 35' ' ' MET . 1.7 mpt? -117.5 92.45 3.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.297 0.57 . . . . 10.0 110.934 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' K' ' 36' ' ' VAL . 49.3 t -98.63 119.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.613 -0.722 . . . . 10.0 110.024 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -114.94 118.49 4.34 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.242 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.41 128.37 4.84 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' D' ' 33' ' ' GLY . 11.0 m -133.31 146.03 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.602 0.239 . . . . 10.0 110.454 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.451 HG13 HG13 ' K' ' 40' ' ' VAL . 7.1 p -155.67 138.7 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.097 0.475 . . . . 10.0 112.009 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 15.3 mm -74.76 125.37 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.302 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' L' L ' 42' ' ' ALA . . . . . 0.628 ' HB2' HG12 ' K' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' N' ' 11' ' ' GLU . 8.2 mp0 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.494 0.664 . . . . 10.0 110.049 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.26 144.11 13.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.246 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 13' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 3.7 t-160 -103.78 92.88 4.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.15 -1.056 . . . . 10.0 108.15 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.83 114.6 26.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.224 0.535 . . . . 10.0 111.83 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -119.4 102.17 8.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.493 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -112.71 116.98 30.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.064 0.459 . . . . 10.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.401 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 51.1 mt -121.09 111.4 17.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 t -130.08 130.42 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.127 0.489 . . . . 10.0 111.87 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' M' ' 34' ' ' LEU . 19.2 m-85 -124.01 129.08 50.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.775 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -107.82 109.47 21.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.44 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.33 105.66 13.12 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.54 138.43 49.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.528 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.66 147.33 51.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.641 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' N' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 22.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.837 178.388 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.16 -54.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.122 -1.037 . . . . 10.0 113.412 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -168.87 126.59 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.584 0.23 . . . . 10.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 27' ' ' ASN . . . . . 0.596 HD21 ' HA ' ' L' ' 23' ' ' ASP . 6.5 m120 -90.95 148.12 22.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.831 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 20.5 tttm -130.5 -95.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.067 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 29' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . 176.46 107.95 0.22 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.346 -0.93 . . . . 10.0 112.855 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.599 ' HA ' ' CA ' ' N' ' 29' ' ' GLY . . . -85.03 166.98 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD12 ' N' ' 31' ' ' ILE . 0.3 OUTLIER -121.22 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mt -114.25 122.61 68.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.932 0.396 . . . . 10.0 111.224 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.25 120.21 4.25 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.785 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' N' ' 34' ' ' LEU . 5.9 mp -113.47 101.63 9.54 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.619 ' HG3' ' HB2' ' L' ' 35' ' ' MET . 2.7 mpt? -122.91 103.7 8.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.363 0.601 . . . . 10.0 110.738 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.571 HG12 ' HB ' ' N' ' 36' ' ' VAL . 15.6 m -112.49 140.36 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.71 122.38 3.94 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.66 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.5 1.19 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.653 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' L' ' 39' ' ' VAL . 12.2 p -107.94 109.17 27.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 10.0 110.845 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 24.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.119 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' M' ' 11' ' ' GLU . 3.9 tp10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.171 0.51 . . . . 10.0 110.348 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 12' ' ' VAL . . . . . 0.701 ' HB ' HG12 ' O' ' 12' ' ' VAL . 3.1 t -104.28 109.87 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -86.66 127.68 34.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.732 0.301 . . . . 10.0 111.448 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.78 91.06 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 15' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' O' ' 15' ' ' GLN . 6.5 tt0 -106.46 119.4 39.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.347 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -133.64 121.69 22.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.397 0.618 . . . . 10.0 111.801 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.9 mp -116.0 114.25 24.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.036 -0.984 . . . . 10.0 108.892 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.713 ' HB ' HG12 ' O' ' 18' ' ' VAL . 16.2 t -121.71 115.69 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.644 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 19' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' O' ' 32' ' ' ILE . 18.1 m-85 -114.05 128.09 56.23 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.47 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -105.67 130.75 53.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.694 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.66 88.79 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.64 107.17 17.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.094 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 23' ' ' ASP . . . . . 0.872 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 42.2 m-20 -105.54 118.89 37.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.249 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.753 ' HA ' HG23 ' M' ' 24' ' ' VAL . 33.7 m -101.14 -5.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.0 -78.79 1.12 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.342 -0.933 . . . . 10.0 111.907 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.36 113.98 6.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 3.2 m120 -73.91 144.33 45.39 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' O' ' 28' ' ' LYS . 0.2 OUTLIER -124.98 -96.83 0.44 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.012 -0.275 . . . . 10.0 110.642 178.538 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' M' ' 30' ' ' ALA . . . 175.96 107.39 0.21 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.258 -0.972 . . . . 10.0 112.965 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.548 ' HA ' ' CA ' ' O' ' 29' ' ' GLY . . . -90.09 153.22 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.725 HD12 ' HB ' ' M' ' 31' ' ' ILE . 5.6 tp -101.26 102.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 10.0 110.401 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.429 HG12 HD12 ' O' ' 32' ' ' ILE . 29.2 mt -117.5 124.59 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.126 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 33' ' ' GLY . . . . . 0.452 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -125.38 117.52 2.98 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.514 -0.634 . . . . 10.0 111.514 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.649 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -109.06 103.8 12.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.463 ' HG2' ' CA ' ' F' ' 37' ' ' GLY . 2.1 mpp? -117.59 102.88 9.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.097 0.475 . . . . 10.0 111.24 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.571 ' HB ' HG12 ' M' ' 36' ' ' VAL . 54.3 t -112.57 125.47 69.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.978 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' F' ' 35' ' ' MET . . . -124.95 130.82 7.54 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.767 -0.73 . . . . 10.0 113.111 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.18 131.84 7.36 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.899 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' O' ' 39' ' ' VAL . 85.1 t -125.29 123.79 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 7.6 p -150.19 138.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 10.0 111.513 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.417 ' H ' HG13 ' N' ' 41' ' ' ILE . 3.2 mt -72.55 126.79 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.775 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.173 0.511 . . . . 10.0 110.788 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' O' O ' 12' ' ' VAL . . . . . 0.701 HG12 ' HB ' ' N' ' 12' ' ' VAL . 7.5 m -117.18 132.7 66.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.475 0.655 . . . . 10.0 112.643 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -97.4 95.67 7.83 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 14' ' ' HIS . . . . . 0.479 ' HB2' ' ND1' ' P' ' 14' ' ' HIS . 23.7 m170 -84.65 99.51 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.177 0.513 . . . . 10.0 112.209 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' HA ' ' N' ' 15' ' ' GLN . 4.1 tp60 -104.91 95.26 5.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -113.16 114.37 26.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 10.0 111.746 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.634 HD13 HD23 ' O' ' 34' ' ' LEU . 20.2 mt -121.98 116.4 24.25 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.713 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.9 m -132.75 137.49 53.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.097 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -111.18 101.99 10.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -108.38 119.44 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -124.26 130.33 52.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 23' ' ' ASP . . . . . 0.872 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 3.9 t70 -108.15 148.44 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.334 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 14.5 t -130.43 -29.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.348 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 25' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -117.36 -64.92 0.33 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.215 -0.993 . . . . 10.0 113.172 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -156.42 112.79 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.88 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 18.9 t-20 -77.0 154.31 33.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 10.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 57.2 tttp -123.63 -89.41 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.051 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.548 ' CA ' ' HA ' ' N' ' 30' ' ' ALA . . . 172.89 110.46 0.24 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.148 -1.025 . . . . 10.0 112.748 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.88 159.14 17.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.621 0.248 . . . . 10.0 110.562 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.902 HD12 ' HB ' ' P' ' 31' ' ' ILE . 16.0 mt -97.79 99.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.444 HG21 ' HE2' ' N' ' 19' ' ' PHE . 69.3 mt -110.52 108.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.841 0.353 . . . . 10.0 110.404 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 33' ' ' GLY . . . . . 0.534 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.03 114.35 2.58 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.214 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.634 HD23 HD13 ' O' ' 17' ' ' LEU . 8.9 mp -112.14 111.17 21.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.129 -0.323 . . . . 10.0 110.129 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.755 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 10.8 mmt -117.74 103.66 10.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.849 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 t -114.21 115.23 49.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.234 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 37' ' ' GLY . . . . . 0.767 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -126.86 124.66 5.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.54 134.7 7.14 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.305 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.786 HG12 ' HB ' ' N' ' 39' ' ' VAL . 32.1 m -121.93 139.75 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.941 0.401 . . . . 10.0 111.052 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.232 0.158 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 12' ' ' VAL . . . . . 0.593 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -77.22 141.2 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.545 179.217 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -60.78 120.02 9.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 14' ' ' HIS . . . . . 0.479 ' ND1' ' HB2' ' O' ' 14' ' ' HIS . 88.9 m-70 -117.91 111.08 18.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -114.93 127.42 55.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 10.0 111.183 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -134.57 115.71 14.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.25 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.84 119.96 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.973 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 18' ' ' VAL . . . . . 0.439 HG13 HG23 ' O' ' 18' ' ' VAL . 12.1 t -126.36 123.33 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.613 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -125.32 130.45 52.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.882 0.372 . . . . 10.0 110.844 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -108.46 136.68 47.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.998 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -147.7 94.02 2.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.89 152.01 27.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.073 0.463 . . . . 10.0 111.428 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -123.31 155.88 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.602 -0.727 . . . . 10.0 109.838 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.0 OUTLIER -137.81 12.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.674 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -167.0 -67.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.934 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -133.2 97.93 4.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.775 0.322 . . . . 10.0 110.299 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.88 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 9.0 t-20 -68.87 141.82 54.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.716 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -126.76 -75.29 0.58 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.169 0.509 . . . . 10.0 109.872 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.76 128.41 3.98 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.923 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.91 172.24 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.902 ' HB ' HD12 ' O' ' 31' ' ' ILE . 0.0 OUTLIER -91.53 112.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.137 0.494 . . . . 10.0 110.612 179.432 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mt -120.54 109.68 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.42 118.96 4.28 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.86 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.44 108.32 18.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.877 0.37 . . . . 10.0 110.238 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.659 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 3.7 mpp? -108.07 105.54 15.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.806 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -106.11 129.61 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.828 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 37' ' ' GLY . . . . . 0.705 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -136.19 134.97 7.48 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.694 -0.765 . . . . 10.0 112.472 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.81 136.99 8.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.919 -0.658 . . . . 10.0 111.989 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.528 ' HB ' HD11 ' H' ' 31' ' ' ILE . 2.8 m -130.32 138.81 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.519 0.2 . . . . 10.0 110.843 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.88 160.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 pt -89.06 -175.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.633 0.254 . . . . 10.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.207 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.935 0.397 . . . . 10.0 111.699 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.82 115.54 17.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 24.7 m170 -99.04 94.28 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 10.0 110.729 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' B' ' 15' ' ' GLN . 58.4 tp60 -105.38 123.86 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.714 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -140.04 131.55 27.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 10.0 111.961 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 17' ' ' LEU . 2.1 mt -126.3 104.07 8.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.425 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -115.52 121.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.455 0.645 . . . . 10.0 112.548 -178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -115.77 114.63 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.316 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.41 114.25 27.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.798 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.5 136.48 51.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.59 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.8 mm-40 -83.41 173.94 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.571 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.67 ' HA ' HD21 ' B' ' 27' ' ' ASN . 36.2 t70 -156.79 77.45 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.074 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.723 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 23.8 t -109.92 -42.16 5.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.966 0.412 . . . . 10.0 110.465 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.61 -154.02 29.7 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.841 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 116.77 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 148.13 38.46 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 9.9 tptm -153.17 -146.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.006 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.42 127.18 2.05 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 119.927 -1.13 . . . . 10.0 113.346 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -81.64 150.42 28.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 10.0 110.727 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG12 ' B' ' 31' ' ' ILE . 21.2 mm -100.81 92.37 2.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.267 0.556 . . . . 10.0 110.025 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.639 HG22 ' HB ' ' B' ' 32' ' ' ILE . 15.7 pt -110.21 130.12 64.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.478 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.55 95.92 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' B' ' 34' ' ' LEU . 6.3 mp -91.79 101.75 14.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.319 . . . . 10.0 110.96 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -126.39 75.89 1.57 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.189 0.519 . . . . 10.0 110.474 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -83.67 114.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.197 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.56 118.66 5.87 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.48 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.06 119.44 1.72 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.542 -1.023 . . . . 10.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.58 130.79 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.562 0.696 . . . . 10.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' B' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.168 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.455 ' HD2' ' HB ' ' C' ' 12' ' ' VAL . 70.7 m-70 . . . . . 0 C--O 1.236 0.394 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' C' ' 15' ' ' GLN . 9.1 tt0 -107.51 125.73 51.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.15 0.5 . . . . 10.0 111.437 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -135.1 123.04 22.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.354 0.597 . . . . 10.0 111.407 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 7.3 mp -110.67 116.18 30.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.153 -0.931 . . . . 10.0 109.154 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.3 t -117.39 122.23 69.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.351 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -122.69 118.22 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.34 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -106.89 115.95 31.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.823 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.17 114.92 20.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 62.7 mt-10 -89.9 158.88 17.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.782 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 5.9 m-20 -147.99 56.83 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.723 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 27.6 t -78.6 -20.37 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.117 0.485 . . . . 10.0 111.266 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.54 -64.26 1.01 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.264 -0.97 . . . . 10.0 111.484 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.422 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 68.9 p -167.29 119.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.67 HD21 ' HA ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -61.36 152.1 30.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.315 0.384 . . . . 10.0 110.175 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.712 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -144.76 -95.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 121.067 -0.253 . . . . 10.0 111.673 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 171.43 95.55 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 119.716 -1.23 . . . . 10.0 113.007 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.63 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -83.4 147.35 27.93 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.759 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -96.72 116.79 39.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.879 0.847 . . . . 10.0 109.817 179.466 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 32' ' ' ILE . 37.8 mt -129.26 119.33 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.209 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.19 120.6 6.22 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 1.9 mm? -115.02 86.79 2.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.514 ' HG2' ' HA2' ' J' ' 37' ' ' GLY . 2.1 mpt? -116.2 88.69 2.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.395 0.617 . . . . 10.0 111.484 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 t -91.6 135.29 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.292 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.539 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.45 103.19 0.96 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.85 -0.691 . . . . 10.0 112.782 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.17 102.85 1.5 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.506 ' HB ' HG23 ' C' ' 39' ' ' VAL . 3.9 t -111.89 116.75 53.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.567 0.222 . . . . 10.0 110.494 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 40' ' ' VAL . 46.0 t -125.92 132.04 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.586 0.232 . . . . 10.0 110.514 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.54 136.68 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.86 0.362 . . . . 10.0 110.493 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.032 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.671 0.748 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.455 ' HB ' ' HD2' ' B' ' 14' ' ' HIS . 7.3 m -91.11 115.62 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.907 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -75.15 98.41 3.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.482 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' HIS . . . . . 0.434 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.2 m170 -89.26 104.57 17.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.283 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HB3' ' HG3' ' B' ' 15' ' ' GLN . 5.6 tt0 -114.35 103.18 10.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.305 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -114.22 119.71 37.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.924 0.392 . . . . 10.0 111.87 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.555 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 48.9 mt -120.5 112.71 19.29 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.359 -0.978 . . . . 10.0 108.359 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.689 HG13 HG13 ' D' ' 18' ' ' VAL . 7.1 p -132.24 130.97 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.505 0.669 . . . . 10.0 112.61 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.588 ' HE2' HD11 ' D' ' 32' ' ' ILE . 11.1 m-85 -119.98 127.91 53.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.145 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -108.31 113.01 25.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.696 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.66 113.7 20.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 10.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 51.5 mt-10 -103.33 151.91 22.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.218 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.435 ' HB2' HD21 ' D' ' 27' ' ' ASN . 4.4 t0 -141.03 114.93 9.08 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.362 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.0 7.55 4.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -129.4 -62.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.896 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.2 p -172.75 92.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.721 0.261 . . . . 10.0 110.898 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -55.68 143.94 28.72 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.494 0.496 . . . . 10.0 111.648 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.712 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 32.8 ttmt -128.59 -105.12 0.31 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.63 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -166.45 109.94 0.38 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.245 -0.979 . . . . 10.0 113.129 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.577 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -83.85 164.77 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' D' ' 31' ' ' ILE . 1.7 mt -120.65 88.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.568 HG22 HG12 ' D' ' 32' ' ' ILE . 23.9 pt -115.58 127.24 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.08 0.466 . . . . 10.0 111.853 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.52 115.68 3.0 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.723 -0.751 . . . . 10.0 111.947 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.506 HD23 HD13 ' C' ' 17' ' ' LEU . 6.7 mp -105.96 103.67 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.422 . . . . 10.0 110.482 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.4 mpp? -123.86 89.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.023 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' D' ' 36' ' ' VAL . 40.1 t -98.17 113.16 32.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.01 119.96 5.2 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.669 -0.776 . . . . 10.0 112.891 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.1 120.79 3.01 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' B' ' 39' ' ' VAL . 13.4 p -117.75 119.75 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.494 0.664 . . . . 10.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.678 -179.312 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.384 0.135 . . . . 10.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.51 134.36 25.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.723 0.297 . . . . 10.0 111.033 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 1.0 OUTLIER -84.38 130.86 34.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 14' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 71.7 m-70 -132.72 89.99 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.075 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 25.4 pt20 -113.05 137.1 51.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.596 0.712 . . . . 10.0 112.451 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -138.12 119.61 14.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.741 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 mp -112.64 118.15 34.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' E' ' 18' ' ' VAL . 7.6 t -123.84 125.41 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.026 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.77 124.45 47.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.329 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.72 122.97 46.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.086 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.32 105.05 8.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -108.16 79.95 1.31 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.423 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.6 OUTLIER -75.53 114.81 14.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.63 -19.97 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.137 0.494 . . . . 10.0 111.209 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -95.53 -83.03 1.63 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.437 -0.887 . . . . 10.0 112.615 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.435 ' C ' HD22 ' E' ' 27' ' ' ASN . 41.9 m -144.16 100.14 3.5 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.435 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.8 OUTLIER -52.21 148.94 5.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.291 -178.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.863 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 58.8 tttm -138.82 -81.46 0.31 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.649 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.577 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 149.97 113.99 0.67 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.921 -1.133 . . . . 10.0 113.724 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.715 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -82.47 158.49 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.795 HG12 ' HB ' ' C' ' 31' ' ' ILE . 0.1 OUTLIER -116.57 103.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 122.128 0.966 . . . . 10.0 110.119 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.588 HD11 ' HE2' ' C' ' 19' ' ' PHE . 45.7 pt -129.92 147.13 33.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.687 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' L' ' 39' ' ' VAL . . . -125.43 125.63 5.67 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.335 -0.848 . . . . 10.0 111.832 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -105.88 95.6 5.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.599 ' HG2' ' HA2' ' L' ' 37' ' ' GLY . 2.7 mpt? -116.39 104.45 11.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.172 0.51 . . . . 10.0 111.489 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' C' ' 36' ' ' VAL . 26.9 t -106.51 128.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.276 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.544 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -119.1 115.68 3.13 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.713 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.25 125.77 6.18 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.11 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' E' ' 39' ' ' VAL . 58.8 t -128.8 125.35 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -146.56 136.21 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.949 0.405 . . . . 10.0 111.928 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.414 ' HB ' HG21 ' L' ' 31' ' ' ILE . 0.0 OUTLIER -83.89 135.42 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.413 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.246 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.66 ' HG3' ' HG2' ' F' ' 11' ' ' GLU . 1.7 mp0 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.53 0.681 . . . . 10.0 110.542 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -74.73 141.6 15.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.121 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 3.4 t60 -95.9 88.81 5.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.289 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -81.75 115.27 20.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.747 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 45.3 tt0 -132.0 106.34 7.97 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.967 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -126.91 126.89 44.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.085 0.469 . . . . 10.0 111.915 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.691 HD22 HD23 ' E' ' 34' ' ' LEU . 4.2 mp -125.45 118.76 26.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -128.83 128.67 67.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.137 0.494 . . . . 10.0 112.075 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.47 124.57 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.316 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -106.28 114.12 28.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.001 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 106.48 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -110.88 132.74 53.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.283 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.68 145.13 48.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.756 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -138.32 5.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.064 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' F' ' 25' ' ' GLY . . . -137.86 -64.05 0.05 OUTLIER Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.014 -1.088 . . . . 10.0 113.777 -177.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -157.76 130.53 7.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.435 HD22 ' C ' ' D' ' 26' ' ' SER . 5.3 m-80 -91.76 149.4 21.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.964 0.412 . . . . 10.0 111.45 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.863 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 58.0 mttt -130.2 -105.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.286 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -170.93 109.35 0.31 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.037 -1.078 . . . . 10.0 113.05 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.508 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -81.55 150.09 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' F' ' 31' ' ' ILE . 1.1 mt -110.87 94.55 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB ' ' F' ' 32' ' ' ILE . 21.3 mt -120.2 127.15 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.957 0.408 . . . . 10.0 111.107 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.39 113.85 2.81 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.047 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.691 HD23 HD22 ' E' ' 17' ' ' LEU . 7.0 mp -102.61 102.79 13.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.778 ' HG3' ' HG3' ' F' ' 35' ' ' MET . 0.0 OUTLIER -126.12 91.02 3.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.496 0.665 . . . . 10.0 111.152 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.543 HG12 ' HB ' ' F' ' 36' ' ' VAL . 4.0 m -106.01 130.48 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.084 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' SD ' ' M' ' 35' ' ' MET . . . -131.1 136.87 9.07 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.307 -0.949 . . . . 10.0 113.035 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.06 126.6 3.58 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.99 -0.624 . . . . 10.0 111.647 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.456 HG23 ' HB ' ' D' ' 39' ' ' VAL . 11.7 p -120.13 117.28 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.413 0.625 . . . . 10.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' F' ' 42' ' ' ALA . 22.1 t . . . . . 0 C--O 1.236 0.393 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.564 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.66 ' HG2' ' HG3' ' E' ' 11' ' ' GLU . 3.7 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.013 0.435 . . . . 10.0 110.155 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.907 ' HB ' HG12 ' G' ' 12' ' ' VAL . 14.2 t -92.29 103.49 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -77.04 127.23 32.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.82 0.343 . . . . 10.0 111.443 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -125.86 89.5 3.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.758 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.41 116.14 31.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.99 0.424 . . . . 10.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -132.24 121.17 23.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.267 0.556 . . . . 10.0 111.997 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.41 116.18 27.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.208 -0.905 . . . . 10.0 109.22 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.857 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.9 t -121.15 120.87 63.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.818 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -120.85 123.25 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.37 131.13 52.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.29 90.15 2.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 10.0 109.838 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.63 105.99 15.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.909 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 16.8 m-20 -106.79 117.3 33.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.709 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' G' ' 24' ' ' VAL . 27.8 m -100.88 15.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 10.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' E' ' 25' ' ' GLY . . . -122.57 -87.43 0.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.318 -0.713 . . . . 10.0 111.318 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -144.16 100.05 3.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 1.2 m120 -62.66 128.47 36.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.789 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.59 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 0.3 OUTLIER -109.7 -61.71 1.6 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.467 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 133.04 120.73 2.15 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.356 -0.926 . . . . 10.0 113.043 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -95.39 165.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.604 HG12 HG13 ' N' ' 39' ' ' VAL . 8.7 tt -112.84 112.27 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.648 0.737 . . . . 10.0 111.249 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.615 ' HB ' HG23 ' E' ' 32' ' ' ILE . 19.4 mt -119.86 126.82 75.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.307 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.99 2.67 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.782 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -101.37 98.19 8.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.811 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 2.1 mpt? -117.41 93.41 4.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.907 0.384 . . . . 10.0 110.836 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.543 ' HB ' HG12 ' E' ' 36' ' ' VAL . 44.3 t -110.65 130.11 64.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.743 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -132.44 135.07 7.91 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.61 -0.805 . . . . 10.0 113.057 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.45 132.4 6.76 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.013 -0.613 . . . . 10.0 112.06 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.591 ' HB ' HG12 ' G' ' 39' ' ' VAL . 40.2 t -123.48 131.03 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.3 p -153.06 132.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 10.0 111.869 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 41' ' ' ILE . . . . . 0.421 HG23 HG12 ' O' ' 31' ' ' ILE . 7.5 pt -72.57 139.42 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.715 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.55 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 11' ' ' GLU . . . . . 0.406 ' C ' HG11 ' H' ' 12' ' ' VAL . 14.7 mm-40 . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.027 0.441 . . . . 10.0 110.264 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.907 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.6 m -116.93 134.7 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.458 0.647 . . . . 10.0 112.532 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -96.27 93.21 6.76 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -84.77 104.74 15.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.131 0.491 . . . . 10.0 111.508 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -113.22 94.19 4.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -111.33 117.87 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.623 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 mt -120.88 116.4 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.9 m -129.31 131.83 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.05 123.6 38.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.402 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -105.32 114.92 29.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.02 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -118.15 126.59 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.024 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -130.11 140.47 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.125 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.456 ' O ' HG22 ' F' ' 24' ' ' VAL . 6.4 t70 -130.42 132.26 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' F' ' 24' ' ' VAL . 26.7 t -120.2 1.4 7.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.352 0.596 . . . . 10.0 109.98 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.44 -69.39 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.044 -1.074 . . . . 10.0 113.327 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -153.78 103.18 2.58 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.468 -0.431 . . . . 10.0 110.939 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.756 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 19.7 t-20 -58.53 142.28 49.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -123.31 -59.68 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.095 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 123.64 123.54 2.82 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.99 -1.1 . . . . 10.0 112.775 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -102.01 172.17 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.622 0.249 . . . . 10.0 110.854 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.455 HG12 HG23 ' N' ' 41' ' ' ILE . 16.3 mt -103.72 101.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 108.573 -0.899 . . . . 10.0 108.573 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mt -113.11 112.63 41.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.762 0.315 . . . . 10.0 110.442 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -117.02 123.5 5.82 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.461 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -121.94 104.65 9.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.694 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 0.0 OUTLIER -121.62 106.45 11.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.47 0.653 . . . . 10.0 111.047 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' H' ' 36' ' ' VAL . 45.8 t -114.38 124.44 71.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.09 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.917 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -132.69 123.62 3.57 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.27 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.26 135.2 7.32 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.55 -0.833 . . . . 10.0 112.468 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.591 HG12 ' HB ' ' F' ' 39' ' ' VAL . 14.9 m -119.11 138.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.852 0.358 . . . . 10.0 110.56 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.064 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.15 138.33 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.757 0.313 . . . . 10.0 110.925 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.42 125.21 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -118.77 108.0 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.873 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -111.61 130.62 55.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.383 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -137.99 111.26 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.422 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.426 HD23 ' HG ' ' H' ' 34' ' ' LEU . 7.3 mp -117.7 116.31 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.08 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -122.86 128.24 75.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.369 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -130.93 137.44 49.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.529 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -116.06 112.19 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 10.0 111.935 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -118.07 82.47 1.84 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -102.93 154.73 18.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.013 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -140.81 149.29 41.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.901 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -130.91 10.06 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.776 0.322 . . . . 10.0 110.59 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.96 -56.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.417 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -156.81 102.75 2.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.749 0.275 . . . . 10.0 110.62 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.756 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 27.4 t-20 -53.86 135.72 41.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.755 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 32.5 tttp -116.42 -158.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.756 0.312 . . . . 10.0 110.708 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.755 ' H ' ' HG2' ' H' ' 28' ' ' LYS . . . -135.13 98.61 0.3 Allowed Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 121.14 -0.552 . . . . 10.0 111.897 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.41 156.51 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.94 116.17 46.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 10.0 111.108 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 38.3 mt -127.47 121.75 57.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.876 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.16 123.94 4.58 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.404 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' H' ' 17' ' ' LEU . 2.7 mm? -113.19 102.44 10.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.398 . . . . 10.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.625 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 1.7 mpt? -105.54 104.46 14.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.144 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' G' ' 36' ' ' VAL . 48.8 t -109.18 127.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.95 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' P' ' 35' ' ' MET . . . -137.0 151.35 20.96 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.493 -0.861 . . . . 10.0 112.953 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.38 132.79 2.96 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.891 -0.484 . . . . 10.0 111.891 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.533 HG11 ' HA3' ' P' ' 33' ' ' GLY . 34.8 m -125.05 129.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 10.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 13.7 p . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 120.581 0.229 . . . . 10.0 110.698 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 108.137 -1.06 . . . . 10.0 108.137 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 14' ' ' HIS . . . . . 0.449 ' HB2' ' ND1' ' J' ' 14' ' ' HIS . 52.1 m170 -90.11 79.17 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.087 0.47 . . . . 10.0 112.027 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.471 ' OE1' ' HB3' ' J' ' 15' ' ' GLN . 61.9 tp60 -87.7 122.92 31.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.414 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -136.9 130.38 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.977 0.418 . . . . 10.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' J' ' 17' ' ' LEU . 8.0 mt -125.44 106.75 10.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.42 HG23 HG13 ' J' ' 18' ' ' VAL . 0.8 OUTLIER -117.98 120.35 64.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -178.666 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.91 117.95 32.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.596 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -112.78 113.46 25.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.949 0.404 . . . . 10.0 111.002 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.01 134.9 54.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.688 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 2.4 mt-10 -85.84 176.36 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.91 0.386 . . . . 10.0 110.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 23' ' ' ASP . . . . . 0.621 ' HA ' HD21 ' J' ' 27' ' ' ASN . 32.0 t70 -156.02 78.14 0.96 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.61 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.786 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.0 t -109.33 -40.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.864 0.364 . . . . 10.0 110.442 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -92.05 -147.68 21.06 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.082 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.95 116.06 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.96 150.08 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.376 0.51 . . . . 10.0 112.376 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -164.95 -167.91 1.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.457 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.52 132.74 6.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.678 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.756 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.37 147.75 26.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.703 0.287 . . . . 10.0 110.383 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.507 ' HB ' HG12 ' J' ' 31' ' ' ILE . 27.2 mm -96.82 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.17 0.509 . . . . 10.0 110.121 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.578 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.5 pt -110.53 131.98 60.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.429 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 100.08 0.83 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.174 -0.77 . . . . 10.0 111.174 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.494 HD23 HD13 ' I' ' 17' ' ' LEU . 6.0 mp -96.3 99.17 10.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 10.0 111.101 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -124.05 79.26 1.71 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.194 0.521 . . . . 10.0 110.471 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' J' ' 36' ' ' VAL . 40.1 t -86.59 114.89 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.889 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.53 111.13 3.35 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.362 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.23 112.98 1.36 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.751 -0.94 . . . . 10.0 110.751 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.98 131.17 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.46 0.647 . . . . 10.0 111.983 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' J' ' 40' ' ' VAL . 59.5 t . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.294 -0.866 . . . . 10.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 14' ' ' HIS . . . . . 0.449 ' ND1' ' HB2' ' I' ' 14' ' ' HIS . 64.5 m-70 . . . . . 0 C--O 1.234 0.276 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.471 ' HB3' ' OE1' ' I' ' 15' ' ' GLN . 9.1 tt0 -103.35 123.89 47.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 10.0 111.71 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -129.54 123.6 31.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.505 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.3 mp -112.76 117.26 31.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.293 179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.0 t -119.03 122.97 70.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.4 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -123.05 116.79 24.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.901 0.382 . . . . 10.0 111.25 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.98 114.09 28.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.052 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.2 115.36 21.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' HG3' ' I' ' 22' ' ' GLU . 58.4 mt-10 -95.71 156.08 16.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.586 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.0 m-20 -143.91 59.07 1.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.786 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 41.4 t -77.36 -21.89 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 10.0 111.183 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.68 -63.28 1.11 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.151 -1.023 . . . . 10.0 111.223 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.7 p -169.17 124.16 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.621 HD21 ' HA ' ' I' ' 23' ' ' ASP . 0.8 OUTLIER -64.62 154.17 37.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.37 0.419 . . . . 10.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 8.5 tptt -145.82 -91.18 0.1 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.133 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.756 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.47 93.19 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 119.915 -1.136 . . . . 10.0 112.862 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.685 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -81.41 148.58 29.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' K' ' 31' ' ' ILE . 0.4 OUTLIER -97.69 117.16 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.723 0.773 . . . . 10.0 109.774 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.578 ' HB ' HG22 ' I' ' 32' ' ' ILE . 35.2 mt -129.19 119.83 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.865 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -108.45 118.72 5.45 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' I' ' 34' ' ' LEU . 1.8 mm? -112.92 88.22 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.539 ' HG2' ' HA2' ' B' ' 37' ' ' GLY . 2.2 mpt? -116.14 88.64 2.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.448 0.642 . . . . 10.0 111.275 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.4 ' HB ' HG13 ' I' ' 36' ' ' VAL . 40.5 t -92.62 133.04 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.572 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 0.514 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.48 105.17 1.18 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.768 -0.73 . . . . 10.0 112.575 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.46 105.74 1.78 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.082 -0.807 . . . . 10.0 111.082 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.451 HG12 HG23 ' B' ' 31' ' ' ILE . 2.6 t -113.15 116.23 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.748 0.309 . . . . 10.0 110.708 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.524 ' HB ' HG22 ' I' ' 40' ' ' VAL . 46.4 t -125.37 128.58 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.622 0.248 . . . . 10.0 110.534 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' B' ' 31' ' ' ILE . 8.1 tp -66.85 127.76 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.159 0.504 . . . . 10.0 111.437 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.408 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.593 0.711 . . . . 10.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' K' K ' 12' ' ' VAL . . . . . 0.437 ' HB ' ' HD2' ' J' ' 14' ' ' HIS . 14.4 m -92.35 119.61 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.961 -1.018 . . . . 10.0 111.672 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.07 93.94 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.343 -0.844 . . . . 10.0 108.999 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 14' ' ' HIS . . . . . 0.52 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 0.2 OUTLIER -85.88 96.04 9.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.143 0.497 . . . . 10.0 111.333 -179.684 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -104.9 106.64 17.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.116 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 16' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 88.5 tttt -117.18 122.54 44.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.038 0.447 . . . . 10.0 112.189 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 41.8 mt -122.38 113.89 20.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.699 HG13 HG13 ' L' ' 18' ' ' VAL . 7.6 p -133.37 132.32 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.504 0.669 . . . . 10.0 112.563 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.513 ' HE2' HD11 ' L' ' 32' ' ' ILE . 10.9 m-85 -121.17 128.27 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.23 107.22 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.27 32.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 28.2 mt-10 -110.53 149.26 30.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.043 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' J' ' 24' ' ' VAL . 4.2 t0 -137.14 116.91 13.07 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.405 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.98 15.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.27 -58.78 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.47 -0.871 . . . . 10.0 112.781 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.09 95.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.405 0.282 . . . . 10.0 110.671 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.55 149.62 25.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.973 0.416 . . . . 10.0 111.632 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.725 ' HD2' ' HA ' ' L' ' 28' ' ' LYS . 31.1 ttmt -133.51 -111.5 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.169 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -160.91 106.95 0.3 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.081 -1.057 . . . . 10.0 113.203 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.593 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.3 162.12 22.38 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.757 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.0 OUTLIER -117.83 87.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 179.517 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.533 HG22 HG12 ' L' ' 32' ' ' ILE . 25.9 pt -113.71 126.16 71.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 10.0 111.789 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.83 117.3 3.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 10.0 112.045 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.498 HD23 HD13 ' K' ' 17' ' ' LEU . 6.6 mp -108.64 102.23 11.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.82 0.343 . . . . 10.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.5 mpp? -121.82 87.98 2.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.323 0.582 . . . . 10.0 111.144 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' L' ' 36' ' ' VAL . 41.7 t -96.33 114.96 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.499 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.01 124.26 6.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.466 -0.873 . . . . 10.0 113.004 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.62 123.46 3.36 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.113 -0.565 . . . . 10.0 111.784 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' C' ' 31' ' ' ILE . 8.2 p -119.16 119.35 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.387 0.613 . . . . 10.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.618 -179.624 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' L' L ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' M' ' 11' ' ' GLU . 6.2 tp10 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.409 0.147 . . . . 10.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 p -156.58 140.73 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.58 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 13' ' ' HIS . . . . . 0.561 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 1.4 t60 -81.43 131.67 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.265 0.555 . . . . 10.0 111.989 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 14' ' ' HIS . . . . . 0.52 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 40.2 m-70 -132.61 86.99 2.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.598 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 15' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 19.9 pt20 -110.8 135.31 51.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.499 0.666 . . . . 10.0 112.554 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 38.8 ttpt -136.99 120.12 16.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.43 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.54 120.54 41.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.848 -0.614 . . . . 10.0 109.404 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.808 ' HB ' HG12 ' M' ' 18' ' ' VAL . 10.5 t -125.27 126.24 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.15 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 33.6 m-85 -119.79 125.64 49.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.181 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -106.65 121.93 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 101.06 6.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.55 80.85 1.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.51 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 23' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -77.05 112.72 14.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.981 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.04 -24.55 3.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.774 0.321 . . . . 10.0 110.888 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 25' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -90.96 -79.21 1.38 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.688 -0.768 . . . . 10.0 113.041 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 26' ' ' SER . . . . . 0.467 ' C ' HD22 ' M' ' 27' ' ' ASN . 58.9 m -153.66 101.33 2.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 110.594 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 27' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -51.29 149.07 4.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.995 -1.002 . . . . 10.0 113.282 -178.547 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 44.6 tttm -137.24 -86.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.289 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 29' ' ' GLY . . . . . 0.593 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 159.2 113.6 0.35 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.401 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -88.54 156.04 19.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' K' ' 31' ' ' ILE . 4.6 tp -112.13 102.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.562 0.696 . . . . 10.0 110.435 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.533 HG12 HG22 ' K' ' 32' ' ' ILE . 41.7 pt -128.99 142.45 44.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.436 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.21 124.24 5.41 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.958 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' K' ' 34' ' ' LEU . 2.5 mm? -104.41 90.67 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.544 ' HG2' ' HA2' ' D' ' 37' ' ' GLY . 3.2 mpp? -111.3 106.59 15.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 111.604 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.525 ' HB ' HG13 ' K' ' 36' ' ' VAL . 24.3 t -107.93 130.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.63 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.599 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -118.61 109.48 1.76 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.696 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.36 120.83 5.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.035 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.445 HG22 ' HA3' ' D' ' 33' ' ' GLY . 42.5 t -125.44 119.61 55.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.67 134.73 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 10.0 112.272 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.92 136.92 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.388 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.371 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' M' M ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' L' ' 11' ' ' GLU . 2.0 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.274 0.559 . . . . 10.0 110.477 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -72.24 148.2 9.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.399 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 13' ' ' HIS . . . . . 0.561 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 4.3 t60 -98.32 91.2 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.338 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.34 110.68 18.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.197 0.522 . . . . 10.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 15' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 47.0 tt0 -127.43 108.5 10.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.551 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -129.46 125.86 37.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.035 0.445 . . . . 10.0 111.391 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.709 HD22 HD23 ' M' ' 34' ' ' LEU . 4.3 mp -125.34 118.07 25.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.914 -0.773 . . . . 10.0 108.914 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.808 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.3 m -127.45 128.05 69.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.336 0.589 . . . . 10.0 112.106 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.56 121.17 37.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.652 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -102.32 119.04 38.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.689 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.41 102.88 7.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.467 . . . . 10.0 109.749 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -106.65 136.85 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.292 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.59 143.19 50.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.053 0.454 . . . . 10.0 111.08 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.95 4.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.503 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -129.78 -79.83 0.23 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.461 -0.876 . . . . 10.0 113.236 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 124.95 12.6 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 27' ' ' ASN . . . . . 0.467 HD22 ' C ' ' L' ' 26' ' ' SER . 4.7 m-80 -82.94 148.57 27.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.058 0.456 . . . . 10.0 111.557 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.921 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 65.2 mttt -132.29 -102.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.376 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 29' ' ' GLY . . . . . 0.528 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 179.37 114.41 0.42 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.938 -1.125 . . . . 10.0 113.024 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.482 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -85.09 156.32 21.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' N' ' 31' ' ' ILE . 1.2 mt -113.24 92.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.531 HG23 ' HB ' ' N' ' 32' ' ' ILE . 20.8 mt -118.2 125.38 74.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.02 110.5 2.1 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.984 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.709 HD23 HD22 ' M' ' 17' ' ' LEU . 7.0 mp -97.98 105.99 18.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' N' ' 35' ' ' MET . 0.0 OUTLIER -127.94 87.85 2.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.56 0.695 . . . . 10.0 111.124 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' N' ' 36' ' ' VAL . 3.6 m -105.02 129.7 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.249 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 37' ' ' GLY . . . . . 0.582 ' HA3' ' SD ' ' E' ' 35' ' ' MET . . . -130.71 145.43 16.81 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.921 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.21 124.12 1.97 Allowed Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 121.123 -0.56 . . . . 10.0 111.932 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -116.32 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.355 0.597 . . . . 10.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.854 -179.44 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' N' N ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' O' ' 11' ' ' GLU . 1.3 tp10 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.186 0.517 . . . . 10.0 109.896 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 12' ' ' VAL . . . . . 0.822 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -89.17 111.09 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -84.07 126.68 33.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.657 0.265 . . . . 10.0 111.176 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -124.67 94.17 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -112.34 113.05 25.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 10.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -129.23 117.93 21.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.338 0.589 . . . . 10.0 112.027 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.52 115.61 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.072 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' O' ' 18' ' ' VAL . 6.7 t -121.19 118.65 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.981 0.419 . . . . 10.0 110.706 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -117.87 125.8 51.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.64 125.84 51.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.554 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 89.6 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.91 110.0 20.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.816 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 29.9 m-20 -112.52 119.48 38.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 10.0 110.868 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' O' ' 24' ' ' VAL . 18.3 m -101.07 3.29 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 25' ' ' GLY . . . . . 0.521 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -108.18 -84.53 1.64 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.558 -0.829 . . . . 10.0 111.782 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 84.5 p -149.31 101.85 3.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.48 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 1.5 m120 -60.65 138.82 58.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.261 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' O' ' 27' ' ' ASN . 0.3 OUTLIER -121.25 -67.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 138.66 119.93 1.77 Allowed Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.031 -1.081 . . . . 10.0 113.192 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.467 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' M' ' 31' ' ' ILE . 9.8 tt -113.42 112.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.562 0.696 . . . . 10.0 111.299 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.531 ' HB ' HG23 ' M' ' 32' ' ' ILE . 23.2 mt -120.65 125.53 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.471 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.14 116.82 4.21 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.269 -0.732 . . . . 10.0 111.269 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' M' ' 34' ' ' LEU . 2.6 mm? -105.58 94.97 5.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' M' ' 35' ' ' MET . 2.5 mpt? -115.11 92.21 3.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.119 0.485 . . . . 10.0 111.117 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' M' ' 36' ' ' VAL . 44.2 t -112.75 125.36 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.811 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -130.02 139.98 11.38 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.923 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.55 137.58 9.45 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 10.0 111.936 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.726 ' HB ' HG12 ' O' ' 39' ' ' VAL . 44.3 t -127.04 129.78 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.6 p -150.18 129.5 3.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.061 0.458 . . . . 10.0 111.982 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.455 HG23 HG12 ' G' ' 31' ' ' ILE . 6.5 pt -68.66 138.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.016 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.268 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' O' O ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' N' ' 11' ' ' GLU . 18.3 mm-40 . . . . . 0 C--O 1.235 0.308 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 12' ' ' VAL . . . . . 0.822 HG12 ' HB ' ' N' ' 12' ' ' VAL . 17.3 m -113.82 131.53 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -96.49 99.15 10.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -89.47 106.49 18.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.747 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -115.07 94.47 4.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' O' ' 16' ' ' LYS . 4.8 tmmm? -112.52 117.99 33.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.514 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.57 118.1 29.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.128 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' N' ' 18' ' ' VAL . 3.1 m -130.63 133.19 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.477 0.656 . . . . 10.0 112.699 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.04 120.88 30.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.778 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -102.99 112.08 24.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.01 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -123.13 123.62 41.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.08 134.45 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.639 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 23' ' ' ASP . . . . . 0.419 ' O ' HG22 ' N' ' 24' ' ' VAL . 5.4 t70 -113.69 140.62 48.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.556 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.547 ' HA ' HG22 ' N' ' 24' ' ' VAL . 92.4 t -120.86 -8.02 10.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 10.0 109.599 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 25' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -122.62 -69.76 0.24 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.291 -0.957 . . . . 10.0 113.537 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 59.4 m -156.7 104.78 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.519 0.2 . . . . 10.0 111.011 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.85 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.5 t-20 -57.84 143.84 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' P' ' 28' ' ' LYS . 54.6 tttp -124.83 -62.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.379 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 124.05 122.64 2.71 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.401 -0.904 . . . . 10.0 113.016 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' CA ' ' P' ' 29' ' ' GLY . . . -98.17 174.91 6.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.361 0.264 . . . . 10.0 110.761 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 31' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' P' ' 31' ' ' ILE . 15.2 mt -109.75 100.31 10.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 19.5 mt -112.33 117.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.52 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.37 121.04 4.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.024 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.91 104.66 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.917 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 4.3 mpp? -117.51 105.98 12.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.625 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' N' ' 36' ' ' VAL . 48.2 t -116.73 121.12 67.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 37' ' ' GLY . . . . . 0.694 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -131.45 118.23 2.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.18 137.35 9.3 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.6 -0.81 . . . . 10.0 112.583 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.726 HG12 ' HB ' ' N' ' 39' ' ' VAL . 33.0 m -122.6 136.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 10.0 110.63 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.966 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.238 0.466 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 12' ' ' VAL . . . . . 0.516 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -60.22 136.96 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.225 0.328 . . . . 10.0 110.791 179.316 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -62.56 128.18 34.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -120.86 113.94 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.056 -0.974 . . . . 10.0 108.857 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -117.82 125.85 51.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.244 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -132.73 112.38 11.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.359 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.52 HD23 ' HG ' ' P' ' 34' ' ' LEU . 7.2 mp -118.76 112.2 19.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.03 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -119.82 120.13 62.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.466 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.92 143.69 50.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.675 0.274 . . . . 10.0 110.898 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.52 126.13 48.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.501 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -131.88 84.29 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.359 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.47 165.11 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.727 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -150.75 147.36 27.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.117 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.1 t -128.16 2.78 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.778 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 25' ' ' GLY . . . . . 0.556 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -136.7 -56.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.436 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 62.4 m -157.83 107.46 2.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.777 0.323 . . . . 10.0 110.19 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.85 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 28.4 t-20 -54.68 139.5 38.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.853 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 28' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' P' ' 29' ' ' GLY . 30.9 tttp -119.95 -153.87 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 29' ' ' GLY . . . . . 0.56 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . -146.65 113.22 0.65 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.408 -0.677 . . . . 10.0 111.408 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 170.17 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.664 0.269 . . . . 10.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.458 HD13 ' HB ' ' O' ' 31' ' ' ILE . 1.7 mm -99.58 114.57 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.461 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.1 mt -129.11 110.4 20.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 33' ' ' GLY . . . . . 0.533 ' HA3' HG11 ' H' ' 39' ' ' VAL . . . -123.81 121.21 4.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.613 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' P' ' 17' ' ' LEU . 2.7 mm? -110.88 106.42 15.55 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mtm -113.24 108.98 18.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.378 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.59 128.55 71.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.442 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 37' ' ' GLY . . . . . 0.625 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -129.51 142.88 14.04 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.261 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.28 131.64 4.63 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.481 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.18 133.57 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.434 0.159 . . . . 10.0 111.259 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 8.7 p -173.85 162.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.333 -0.247 . . . . 10.0 110.333 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 pt -93.43 176.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.631 0.253 . . . . 10.0 110.477 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.455 -0.783 . . . . 10.0 110.552 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.781 0.324 . . . . 10.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 4.2 t60 -68.5 102.63 1.49 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.148 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.439 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 59.7 m170 -92.36 88.5 6.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.249 0.547 . . . . 10.0 111.28 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 6.6 tt0 -106.8 120.34 41.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.606 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -130.78 126.11 35.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 111.765 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -113.71 117.15 30.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.269 -1.011 . . . . 10.0 108.269 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -129.43 125.21 61.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -116.33 121.18 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.455 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -114.26 99.23 7.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.445 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.08 136.52 40.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.735 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.4 mm-40 -85.59 177.45 7.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.293 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' B' ' 27' ' ' ASN . 29.7 t70 -157.91 87.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.865 0.364 . . . . 10.0 111.321 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.794 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 26.0 t -122.56 -38.99 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.062 0.458 . . . . 10.0 110.307 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -93.07 -153.31 30.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 10.0 111.976 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.49 115.77 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 141.8 44.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 7.8 tttt -164.5 176.48 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.4 147.92 16.71 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.119 -1.039 . . . . 10.0 113.106 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.49 161.77 16.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.968 0.413 . . . . 10.0 110.848 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' B' ' 31' ' ' ILE . 12.7 mm -105.2 82.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 10.0 109.41 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.568 HG22 ' HB ' ' B' ' 32' ' ' ILE . 16.5 pt -103.09 133.05 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.358 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.16 99.89 0.86 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.14 97.83 11.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.606 0.241 . . . . 10.0 110.58 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.45 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.4 mpt? -129.47 74.26 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.282 0.563 . . . . 10.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' B' ' 36' ' ' VAL . 24.7 t -90.92 134.61 29.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.28 125.93 6.36 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.498 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.08 112.59 0.94 Allowed Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.426 -1.069 . . . . 10.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.44 123.48 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.452 0.644 . . . . 10.0 111.922 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' B' ' 40' ' ' VAL . 54.5 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.911 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.439 ' ND1' ' HB2' ' A' ' 14' ' ' HIS . 27.7 m-70 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.1 tt0 -117.91 127.6 54.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.972 0.415 . . . . 10.0 111.407 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -131.93 125.18 31.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.483 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 8.6 mp -112.67 111.6 22.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.708 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.8 t -116.17 121.69 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.01 113.17 18.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.666 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.2 122.22 42.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.84 113.68 13.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.742 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 32.6 mt-10 -87.51 159.26 18.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.948 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.6 m-20 -147.0 51.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.794 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 76.9 t -73.7 -26.49 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.432 . . . . 10.0 111.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.57 -65.18 1.36 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.197 -1.001 . . . . 10.0 111.82 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.522 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 p -167.27 120.64 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.527 HD21 ' HA ' ' A' ' 23' ' ' ASP . 1.2 m120 -62.57 146.74 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.353 0.408 . . . . 10.0 110.055 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.719 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 22.6 tptt -139.29 -75.71 0.36 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.189 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.686 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 145.25 98.75 0.25 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.714 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -84.73 153.82 22.82 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -98.97 117.12 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.615 0.722 . . . . 10.0 109.73 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.568 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.0 mt -131.66 115.91 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.746 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' J' ' 39' ' ' VAL . . . -105.1 120.07 6.41 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.278 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.37 91.42 3.64 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.473 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 2.5 mpt? -121.65 85.72 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.314 0.578 . . . . 10.0 111.357 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 36' ' ' VAL . 35.3 t -95.22 132.92 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.432 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -117.33 106.98 1.48 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.369 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 105.17 2.02 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.618 -0.993 . . . . 10.0 110.618 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 2.4 t -113.96 119.93 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.654 0.264 . . . . 10.0 110.928 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' A' ' 40' ' ' VAL . 49.1 t -129.48 129.71 67.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.701 ' HA ' HG13 ' J' ' 31' ' ' ILE . 0.5 OUTLIER -64.61 142.01 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 10.0 110.752 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.434 ' H ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.009 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.701 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.342 0.591 . . . . 10.0 111.191 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 27.2 m -89.82 127.5 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.688 . . . . 10.0 112.15 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -83.48 97.46 9.01 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' HIS . . . . . 0.414 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 1.7 m-70 -84.71 107.26 16.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.183 0.516 . . . . 10.0 111.884 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.42 102.88 9.26 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -114.95 121.06 41.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 10.0 111.957 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.483 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 49.4 mt -119.53 114.47 22.31 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' D' ' 18' ' ' VAL . 6.6 p -136.04 131.14 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.465 0.65 . . . . 10.0 112.543 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.455 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 11.3 m-85 -118.53 132.7 56.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.898 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -112.46 102.37 10.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.456 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.06 118.36 33.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.377 . . . . 10.0 110.082 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 35.1 mt-10 -107.52 159.21 16.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.69 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.1 t70 -152.76 119.76 5.8 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.982 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.0 m -135.42 20.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 108.729 -0.841 . . . . 10.0 108.729 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.3 -68.32 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.76 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.5 m -167.5 92.29 0.39 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.686 0.395 . . . . 10.0 110.327 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.419 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 48.4 t30 -57.58 148.53 23.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.266 0.555 . . . . 10.0 111.797 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' D' ' 28' ' ' LYS . 61.6 tttt -135.17 -118.67 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.831 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.753 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -152.78 101.01 0.21 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.945 -1.122 . . . . 10.0 113.93 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.809 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -72.62 158.32 35.88 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.698 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 mt -116.25 85.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.097 0.475 . . . . 10.0 110.037 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.881 HG22 ' HB ' ' D' ' 32' ' ' ILE . 16.7 pt -115.16 138.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.132 0.491 . . . . 10.0 112.265 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.9 122.05 3.08 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.355 -0.698 . . . . 10.0 111.355 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.5 mp -111.12 101.18 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.848 0.356 . . . . 10.0 110.675 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.473 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.7 mpp? -119.73 93.84 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.706 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB ' ' D' ' 36' ' ' VAL . 39.8 t -103.72 115.87 46.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.653 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' HE2' ' K' ' 35' ' ' MET . . . -112.16 127.34 8.02 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.738 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.02 127.42 3.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.629 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' K' ' 31' ' ' ILE . 7.6 p -127.4 120.33 54.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.425 0.631 . . . . 10.0 111.683 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.301 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.747 0.308 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.701 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 6.4 p -133.66 131.93 57.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -91.73 129.83 37.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 98.9 m-70 -132.91 94.95 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.064 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 29.4 pt20 -117.8 139.38 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.363 0.602 . . . . 10.0 112.507 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -138.65 129.28 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.914 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' E' ' 17' ' ' LEU . 8.4 mp -116.41 115.58 26.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.707 -0.678 . . . . 10.0 109.25 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' E' ' 18' ' ' VAL . 4.8 t -123.07 119.13 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 35.9 m-85 -116.63 123.48 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.665 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -104.54 127.75 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.196 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.12 103.24 5.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -104.57 88.08 2.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.172 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.64 ' HA ' HD21 ' E' ' 27' ' ' ASN . 0.7 OUTLIER -80.62 116.18 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.065 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.531 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.6 t -115.54 -27.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 10.0 111.276 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.91 -84.2 1.21 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -148.49 104.35 3.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.69 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.6 OUTLIER -54.75 151.38 8.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.914 -179.052 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.827 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 47.4 tttm -138.64 -90.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.282 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.809 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . 170.83 110.54 0.24 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.452 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -97.87 151.3 20.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.397 0.141 . . . . 10.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.712 HG13 HD13 ' L' ' 41' ' ' ILE . 6.0 mm -96.18 111.64 26.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.876 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.881 ' HB ' HG22 ' C' ' 32' ' ' ILE . 64.9 mt -129.77 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.267 -0.424 . . . . 10.0 109.949 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.439 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.1 117.52 5.6 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.692 -0.766 . . . . 10.0 112.215 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.3 mm? -104.67 98.88 8.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.571 ' HG2' ' CA ' ' L' ' 37' ' ' GLY . 2.2 mpp? -115.43 98.05 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.293 0.568 . . . . 10.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.7 ' HB ' HG13 ' C' ' 36' ' ' VAL . 35.9 t -105.87 128.06 60.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.372 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.581 ' CA ' ' HG2' ' L' ' 35' ' ' MET . . . -129.39 119.29 2.88 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.528 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 129.66 5.42 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.393 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.501 ' CG2' HG23 ' E' ' 39' ' ' VAL . 3.7 m -128.01 143.08 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' E' ' 40' ' ' VAL . 13.7 p -154.25 145.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.755 HD13 HG13 ' L' ' 31' ' ' ILE . 25.9 mm -65.74 131.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.489 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.047 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' F' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.985 0.898 . . . . 10.0 109.225 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 12' ' ' VAL . . . . . 0.432 HG12 ' CG1' ' D' ' 12' ' ' VAL . 18.5 m -76.14 124.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.602 -1.181 . . . . 10.0 112.835 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -87.25 92.12 8.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.49 107.17 18.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.235 0.541 . . . . 10.0 111.479 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.9 tt0 -118.76 118.19 30.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.286 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -131.32 127.68 38.16 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.086 0.469 . . . . 10.0 111.466 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.447 ' HB2' ' HG ' ' D' ' 17' ' ' LEU . 25.5 mt -121.75 111.8 17.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.528 -0.915 . . . . 10.0 108.528 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.1 m -125.79 129.94 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.276 0.56 . . . . 10.0 112.445 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -123.9 127.94 48.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.785 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -109.82 107.81 17.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.148 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.02 15.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.69 140.78 41.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.966 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.4 OUTLIER -134.38 142.81 47.3 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.801 178.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.475 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.2 t -141.91 13.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.372 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -63.43 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.058 -1.068 . . . . 10.0 114.205 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.1 p -164.13 115.75 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.183 0.492 . . . . 10.0 110.477 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' D' ' 23' ' ' ASP . 4.1 m120 -76.96 157.04 31.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 10.0 111.591 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.827 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.9 tttm -138.78 -100.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -178.03 111.17 0.32 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.107 -1.044 . . . . 10.0 113.115 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.547 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -85.75 168.2 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.654 HG12 HD11 ' L' ' 41' ' ' ILE . 0.4 OUTLIER -121.88 89.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.14 123.72 68.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.148 0.499 . . . . 10.0 111.245 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 110.21 1.41 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.534 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.68 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.9 mp -102.19 105.29 15.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.918 0.389 . . . . 10.0 110.301 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.759 ' HG3' ' HA3' ' M' ' 37' ' ' GLY . 5.3 mmt -116.4 94.64 4.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.01 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' F' ' 36' ' ' VAL . 1.5 m -111.0 120.72 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -126.89 140.24 11.79 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.584 -0.817 . . . . 10.0 113.003 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.22 122.56 2.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.946 -0.645 . . . . 10.0 111.708 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.2 p -111.35 109.9 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.41 0.624 . . . . 10.0 110.624 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' F' ' 42' ' ' ALA . 21.4 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.945 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 11' ' ' GLU . . . . . 0.428 ' HB3' ' HG3' ' E' ' 11' ' ' GLU . 1.2 tp10 . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.297 0.57 . . . . 10.0 110.51 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 1.006 ' HB ' HG12 ' G' ' 12' ' ' VAL . 4.8 t -116.84 88.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -73.09 123.89 24.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.101 0.477 . . . . 10.0 111.477 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.482 ' CD2' HG12 ' F' ' 12' ' ' VAL . 6.4 m-70 -124.82 97.95 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.691 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.0 tt0 -110.06 122.22 47.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.791 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -133.79 120.1 20.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.332 0.587 . . . . 10.0 112.035 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -112.47 121.47 44.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 10.0 109.447 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' G' ' 18' ' ' VAL . 11.6 t -125.25 118.52 52.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.549 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -118.23 127.72 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.32 128.47 55.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.0 93.61 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -101.5 95.94 6.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.57 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 20.2 m-20 -101.22 101.19 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.518 HG22 ' O ' ' G' ' 23' ' ' ASP . 12.4 m -98.38 8.08 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.23 -86.31 0.95 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.021 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -136.34 102.43 4.97 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.57 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.5 m120 -63.94 152.0 41.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.108 0.48 . . . . 10.0 111.26 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -138.14 -75.42 0.39 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 140.56 119.44 1.6 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.01 -1.091 . . . . 10.0 113.395 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.55 163.99 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.566 HG12 HG13 ' N' ' 39' ' ' VAL . 13.7 tt -109.03 114.42 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.648 0.737 . . . . 10.0 110.794 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -119.44 116.71 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.843 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.466 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -108.41 107.94 2.59 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.246 -0.741 . . . . 10.0 111.246 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.68 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.0 mm? -100.24 101.42 12.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 3.5 mpp? -117.16 96.41 5.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.124 0.488 . . . . 10.0 110.585 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG12 ' E' ' 36' ' ' VAL . 32.4 t -117.37 129.35 74.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.055 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.908 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -141.5 151.64 22.82 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.687 -0.768 . . . . 10.0 112.925 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 143.11 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.592 HG13 HG12 ' N' ' 31' ' ' ILE . 23.2 t -125.12 124.53 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.3 125.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -70.88 104.11 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.615 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 42' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.811 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.422 0.63 . . . . 10.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 1.006 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.9 m -113.82 130.59 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.189 -0.914 . . . . 10.0 112.989 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -95.05 97.53 10.02 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.561 ' HB2' ' ND1' ' H' ' 14' ' ' HIS . 2.3 m-70 -86.59 120.42 27.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.469 . . . . 10.0 112.046 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.544 HE22 HG11 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -122.42 99.68 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -114.9 120.75 41.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 10.0 111.545 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.832 HD13 HD21 ' G' ' 34' ' ' LEU . 3.9 mt -124.43 115.75 21.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.221 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -128.17 132.59 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -125.63 123.65 39.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.044 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.14 110.26 21.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.779 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.83 120.64 39.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -126.83 129.35 48.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' F' ' 24' ' ' VAL . 7.1 t70 -117.65 129.01 55.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.236 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 18.2 t -116.69 3.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.195 0.522 . . . . 10.0 110.239 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -135.7 -70.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.621 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -155.46 101.91 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.021 -0.362 . . . . 10.0 110.021 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.891 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 47.8 t-20 -68.88 148.82 49.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 10.0 110.953 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 37.4 tttp -121.12 -83.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.983 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.61 110.61 0.23 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.865 -1.16 . . . . 10.0 113.417 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.17 160.71 18.41 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.515 -0.18 . . . . 10.0 110.515 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 45.0 mt -104.9 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -106.83 113.59 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.459 . . . . 10.0 110.637 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.64 112.27 2.41 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.832 HD21 HD13 ' G' ' 17' ' ' LEU . 30.4 tp -113.4 106.92 15.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.81 0.338 . . . . 10.0 110.314 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.995 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.5 mpt? -117.38 102.34 9.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.277 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.544 HG11 HE22 ' G' ' 15' ' ' GLN . 40.7 t -118.38 121.73 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.142 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.618 ' O ' ' HA2' ' H' ' 37' ' ' GLY . . . -142.81 145.28 15.17 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.944 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.19 148.43 18.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.323 -0.942 . . . . 10.0 112.628 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' H' ' 39' ' ' VAL . 20.9 m -119.23 147.11 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.72 0.295 . . . . 10.0 110.325 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.83 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.407 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.433 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -70.82 128.59 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.885 0.374 . . . . 10.0 110.552 179.419 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.69 132.31 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 14' ' ' HIS . . . . . 0.561 ' ND1' ' HB2' ' G' ' 14' ' ' HIS . 90.3 m-70 -116.55 115.78 26.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.447 -0.945 . . . . 10.0 108.447 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -112.5 120.55 42.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.781 0.324 . . . . 10.0 110.416 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -131.99 108.94 9.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.792 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD23 ' G' ' 17' ' ' LEU . 61.8 mt -116.32 116.83 28.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.278 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 t -119.55 121.21 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.43 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -123.32 134.38 54.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.857 0.36 . . . . 10.0 111.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -113.45 129.31 56.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.081 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -144.09 84.3 1.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.454 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 156.02 28.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.945 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 148.46 37.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 2.2 m -125.08 40.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.249 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.455 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -163.48 -70.44 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.259 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -146.79 86.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.868 0.366 . . . . 10.0 110.117 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.891 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -54.33 126.68 24.14 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.11 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 28.9 tttt -105.31 -77.61 0.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.812 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.76 125.79 2.87 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.305 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.88 177.79 4.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.935 0.398 . . . . 10.0 111.192 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.32 115.08 34.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.4 mt -120.59 101.27 10.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.76 112.59 3.01 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.101 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -116.09 101.94 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.872 0.368 . . . . 10.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.591 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.5 mpp? -106.92 99.88 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.84 130.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.981 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -141.55 146.0 16.83 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.751 -0.738 . . . . 10.0 112.558 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.83 144.41 15.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.118 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' G' ' 39' ' ' VAL . 6.4 m -128.56 131.77 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.555 -0.165 . . . . 10.0 110.555 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 110.297 -0.26 . . . . 10.0 110.297 179.449 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 C--O 1.235 0.317 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -87.09 88.52 7.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 10.0 111.115 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' J' ' 15' ' ' GLN . 10.2 tt0 -108.8 117.74 34.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.167 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -127.24 127.86 45.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.153 0.502 . . . . 10.0 112.207 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.11 110.24 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -123.4 126.74 73.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.297 0.57 . . . . 10.0 112.473 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -118.48 119.83 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.932 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -112.85 111.92 23.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.716 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.67 135.31 54.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.294 -0.412 . . . . 10.0 109.948 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 23.5 mm-40 -84.04 175.05 9.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.976 0.417 . . . . 10.0 111.82 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -153.51 82.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.7 t -116.36 -39.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.027 0.441 . . . . 10.0 110.454 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -91.66 -154.47 30.77 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.742 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.84 123.89 20.1 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.26 144.71 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.513 0.561 . . . . 10.0 112.513 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.684 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.7 tttm -167.64 167.88 13.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.246 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.26 144.61 18.34 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.377 -0.916 . . . . 10.0 113.693 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.751 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -87.63 158.81 18.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.744 -0.228 . . . . 10.0 110.414 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.535 ' HB ' HG12 ' J' ' 31' ' ' ILE . 12.4 mm -103.15 90.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 10.0 109.748 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 12.4 pt -109.5 128.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.736 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.67 100.6 1.13 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.316 -0.713 . . . . 10.0 111.316 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.44 94.63 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.749 0.309 . . . . 10.0 111.205 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.421 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.5 mpt? -127.87 75.7 1.63 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.264 0.555 . . . . 10.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' J' ' 36' ' ' VAL . 18.4 t -93.26 129.34 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.99 131.01 9.22 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.862 -0.685 . . . . 10.0 112.572 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.59 106.1 0.39 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.91 126.5 71.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.327 0.584 . . . . 10.0 111.625 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' J' ' 40' ' ' VAL . 60.4 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.13 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.539 ' O ' ' HA ' ' I' ' 15' ' ' GLN . 10.3 tt0 -110.73 126.86 55.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 10.0 111.531 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -131.41 124.25 29.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' K' ' 17' ' ' LEU . 8.8 mp -111.36 113.98 26.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.599 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.3 t -118.78 121.56 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.093 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.83 117.44 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.802 0.334 . . . . 10.0 111.595 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.41 121.9 44.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.53 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.72 117.74 19.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.9 mt-10 -89.12 158.57 17.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.326 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.471 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 9.2 m-20 -147.9 49.33 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.203 -0.665 . . . . 10.0 109.203 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.878 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 91.4 t -73.62 -28.26 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 10.0 111.189 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.42 -64.79 1.49 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.165 -1.017 . . . . 10.0 111.618 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.581 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.5 p -167.56 122.03 1.0 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 1.5 m120 -62.78 145.79 54.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.684 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 19.3 tptt -137.15 -83.54 0.34 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.709 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.751 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 155.39 91.98 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.2 -1.0 . . . . 10.0 112.556 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.766 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -77.94 148.77 34.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.701 HG13 ' HA ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -96.29 117.3 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.593 0.711 . . . . 10.0 109.892 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 33.1 mt -130.74 116.17 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.563 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -106.14 120.33 6.32 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.422 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.29 90.04 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.51 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 2.7 mpt? -120.67 85.3 2.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.467 0.651 . . . . 10.0 111.382 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' I' ' 36' ' ' VAL . 39.0 t -94.77 133.26 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.189 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.51 105.81 1.24 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.785 -0.722 . . . . 10.0 113.146 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 107.28 2.36 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' K' ' 39' ' ' VAL . 2.7 t -115.73 122.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.715 0.293 . . . . 10.0 110.854 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' I' ' 40' ' ' VAL . 48.0 t -131.13 130.0 63.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.645 ' HA ' HG13 ' B' ' 31' ' ' ILE . 0.5 OUTLIER -65.23 143.93 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 120.941 0.4 . . . . 10.0 110.835 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 42' ' ' ALA . . . . . 0.466 ' H ' HD13 ' J' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 11' ' ' GLU . . . . . 0.702 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.391 0.615 . . . . 10.0 110.729 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 m -86.89 121.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.39 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -79.09 100.93 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.456 -0.942 . . . . 10.0 108.456 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 14' ' ' HIS . . . . . 0.417 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 6.0 m170 -87.3 114.7 24.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.325 0.583 . . . . 10.0 111.612 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 4.4 tt0 -125.16 102.27 7.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.207 -0.906 . . . . 10.0 108.78 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -114.96 121.65 43.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.027 0.441 . . . . 10.0 112.077 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 17' ' ' LEU . . . . . 0.541 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 49.3 mt -120.05 111.8 18.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.584 HG13 HG13 ' L' ' 18' ' ' VAL . 6.7 p -133.95 131.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 12.0 m-85 -121.05 131.84 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.122 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.69 104.71 12.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.115 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.9 113.03 24.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.787 0.327 . . . . 10.0 110.178 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.598 ' HB2' ' HA ' ' L' ' 22' ' ' GLU . 50.5 mt-10 -97.31 161.59 13.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.937 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.603 ' HB2' HD21 ' L' ' 27' ' ' ASN . 4.5 t70 -158.26 116.1 2.97 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.327 179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' J' ' 24' ' ' VAL . 10.5 m -133.16 13.7 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.6 -66.16 0.21 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.009 -0.996 . . . . 10.0 112.04 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.4 p -175.53 87.26 0.04 OUTLIER 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.362 0.265 . . . . 10.0 110.669 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 27' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 57.3 t30 -51.76 142.62 14.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.236 0.541 . . . . 10.0 112.256 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 75.9 tttt -128.51 -112.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.779 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.766 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -156.8 101.87 0.21 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.879 -1.153 . . . . 10.0 113.482 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.712 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -72.73 157.44 37.5 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.2 mt -116.13 85.49 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.826 HG22 ' HB ' ' L' ' 32' ' ' ILE . 20.3 pt -114.85 137.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 10.0 112.364 -178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.05 121.16 3.12 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 34' ' ' LEU . . . . . 0.503 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -110.98 100.19 8.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 10.0 110.428 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.51 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.6 mpp? -120.26 93.0 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.923 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.724 HG13 ' HB ' ' L' ' 36' ' ' VAL . 38.8 t -101.57 118.94 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.638 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.11 126.13 7.05 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.622 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.45 129.14 4.41 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.564 -0.615 . . . . 10.0 111.564 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' C' ' 31' ' ' ILE . 7.2 p -128.4 122.79 58.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.479 0.657 . . . . 10.0 111.652 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.453 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.34 0.114 . . . . 10.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.702 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 7.0 p -104.61 135.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.694 0.283 . . . . 10.0 111.255 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -92.99 132.27 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.023 0.439 . . . . 10.0 111.622 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 14' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 95.6 m-70 -133.95 92.73 2.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.418 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 15' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 27.8 pt20 -116.08 137.03 52.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.587 . . . . 10.0 112.448 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' L' ' 16' ' ' LYS . 36.4 ttpt -137.98 127.36 24.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.898 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.2 mp -114.77 117.62 31.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.358 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.77 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.8 t -124.27 119.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.704 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 19' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 34.9 m-85 -117.77 120.12 36.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.766 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.38 97.36 3.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 22' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' K' ' 22' ' ' GLU . 1.9 pt-20 -104.4 96.59 6.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.276 0.56 . . . . 10.0 112.034 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 124.1 31.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.809 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.44 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 85.8 t -119.96 -30.15 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.776 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.71 -76.24 1.23 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.336 -0.935 . . . . 10.0 113.172 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 26' ' ' SER . . . . . 0.491 ' C ' HD22 ' M' ' 27' ' ' ASN . 61.0 m -154.45 101.01 2.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 27' ' ' ASN . . . . . 0.603 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -52.79 148.87 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.007 0.817 . . . . 10.0 112.175 -178.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.964 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 20.0 tttm -137.31 -86.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.069 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 29' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 164.13 113.67 0.29 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.093 -1.051 . . . . 10.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.428 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -97.82 154.78 17.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.398 0.142 . . . . 10.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.755 HG13 HD13 ' D' ' 41' ' ' ILE . 6.1 mm -98.72 110.0 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.826 ' HB ' HG22 ' K' ' 32' ' ' ILE . 47.7 mt -128.62 109.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.15 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 33' ' ' GLY . . . . . 0.495 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -106.6 117.61 5.42 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.068 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 34' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.5 mm? -105.53 98.09 7.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.581 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 2.2 mpp? -115.39 98.71 6.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.348 0.594 . . . . 10.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.724 ' HB ' HG13 ' K' ' 36' ' ' VAL . 29.2 t -104.64 128.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.571 ' CA ' ' HG2' ' D' ' 35' ' ' MET . . . -127.43 121.63 3.92 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.288 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.52 127.72 4.05 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.35 -0.929 . . . . 10.0 112.745 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' M' ' 39' ' ' VAL . 2.9 m -128.38 142.44 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -151.73 143.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.878 0.371 . . . . 10.0 111.367 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' L' L ' 41' ' ' ILE . . . . . 0.712 HD13 HG13 ' D' ' 31' ' ' ILE . 34.0 mm -67.38 128.95 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.517 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.255 179.635 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' M' M ' 11' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' N' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.767 0.794 . . . . 10.0 109.656 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.28 124.14 32.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.911 -1.041 . . . . 10.0 112.006 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -86.17 89.27 7.78 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -86.02 113.42 22.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.618 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 15' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 16.2 tt0 -126.48 122.4 35.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.204 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -135.71 128.88 31.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.865 0.364 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 25.2 mt -122.3 110.68 15.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.31 -0.996 . . . . 10.0 108.31 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.77 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.1 m -124.07 128.34 73.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -122.56 124.97 44.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.686 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -106.93 105.52 15.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.215 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.29 111.57 22.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.903 0.382 . . . . 10.0 109.97 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 22' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' L' ' 22' ' ' GLU . 34.8 mt-10 -112.36 138.61 48.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.988 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.83 143.15 49.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.853 0.359 . . . . 10.0 110.475 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -142.39 13.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.2 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -141.6 -64.13 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.036 -1.078 . . . . 10.0 114.59 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.83 122.26 3.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.246 0.523 . . . . 10.0 110.331 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 27' ' ' ASN . . . . . 0.491 HD22 ' C ' ' L' ' 26' ' ' SER . 4.9 m-80 -85.64 147.9 26.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.073 0.464 . . . . 10.0 111.533 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.964 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 13.3 mttm -130.92 -96.02 0.36 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.177 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 29' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 171.94 113.25 0.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.707 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -84.11 165.12 18.75 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.695 HG12 HD11 ' D' ' 41' ' ' ILE . 0.6 OUTLIER -116.05 92.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.411 HG23 ' HB ' ' N' ' 32' ' ' ILE . 9.1 mt -113.78 125.22 71.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 10.0 111.187 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.73 110.09 1.33 Allowed Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.974 -0.632 . . . . 10.0 111.561 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.697 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.1 mp -101.87 105.13 15.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.838 0.351 . . . . 10.0 110.208 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.2 mmt -117.45 95.67 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.905 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.63 HG12 ' HB ' ' N' ' 36' ' ' VAL . 1.8 m -111.83 124.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.591 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 37' ' ' GLY . . . . . 0.759 ' HA3' ' HG3' ' E' ' 35' ' ' MET . . . -131.62 133.19 7.07 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.217 -0.992 . . . . 10.0 113.194 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.49 123.19 3.3 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.983 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.538 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.5 p -111.86 111.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.262 0.553 . . . . 10.0 110.522 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.451 HG12 ' HB2' ' N' ' 42' ' ' ALA . 20.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.99 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' N' N ' 12' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -108.89 92.97 2.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -77.45 125.01 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 10.0 111.865 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -121.92 97.47 5.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.816 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 15' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' M' ' 15' ' ' GLN . 17.3 tt0 -108.99 119.4 39.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.799 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 16' ' ' LYS . . . . . 0.591 ' HG3' ' HG2' ' O' ' 16' ' ' LYS . 16.9 ptmt -135.4 121.75 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.43 0.633 . . . . 10.0 112.153 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.7 mp -113.41 120.6 41.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.445 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.933 ' HB ' HG12 ' O' ' 18' ' ' VAL . 10.7 t -122.21 116.66 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.335 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -116.87 127.01 53.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.638 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -109.21 127.56 54.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.14 89.19 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.31 104.46 14.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 23' ' ' ASP . . . . . 0.575 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 32.1 m-20 -108.25 111.84 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.187 0.517 . . . . 10.0 110.273 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' O' ' 24' ' ' VAL . 19.8 m -100.1 11.83 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -120.22 -89.52 1.14 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.231 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.05 97.78 3.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 1.3 m120 -62.58 140.56 58.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.446 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 0.1 OUTLIER -125.18 -72.95 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.384 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 140.04 118.43 1.53 Allowed Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.907 -1.139 . . . . 10.0 113.682 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -94.01 165.96 12.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.592 HG12 HG13 ' F' ' 39' ' ' VAL . 11.9 tt -110.59 117.98 56.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.563 0.697 . . . . 10.0 110.726 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.45 HG12 HD12 ' O' ' 32' ' ' ILE . 15.9 mt -122.05 117.35 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.817 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -108.62 109.33 2.82 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.113 -0.795 . . . . 10.0 111.113 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.697 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -100.74 101.07 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.908 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 3.4 mpp? -116.35 97.33 5.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.031 0.443 . . . . 10.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 36' ' ' VAL . . . . . 0.63 ' HB ' HG12 ' M' ' 36' ' ' VAL . 39.7 t -116.36 130.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.734 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.04 144.72 14.99 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.506 -0.854 . . . . 10.0 113.139 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.61 142.04 12.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.124 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.566 HG13 HG12 ' F' ' 31' ' ' ILE . 32.6 t -126.37 123.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' M' ' 40' ' ' VAL . 3.1 p -143.07 124.87 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -70.58 108.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.347 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' N' N ' 42' ' ' ALA . . . . . 0.451 ' HB2' HG12 ' M' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.733 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 11' ' ' GLU . . . . . 0.441 ' HB3' HG13 ' P' ' 12' ' ' VAL . 15.3 mt-10 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.969 0.414 . . . . 10.0 111.415 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 12' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' N' ' 12' ' ' VAL . 19.4 m -111.05 127.69 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -94.53 101.38 13.27 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -89.4 120.58 30.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -120.67 94.3 4.32 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 16' ' ' LYS . . . . . 0.591 ' HG2' ' HG3' ' N' ' 16' ' ' LYS . 1.1 tmmm? -110.96 115.58 29.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.219 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 17' ' ' LEU . . . . . 0.836 HD13 HD21 ' O' ' 34' ' ' LEU . 4.7 mt -121.6 119.05 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.933 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.3 m -130.71 132.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 19' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' P' ' 32' ' ' ILE . 30.8 m-85 -125.78 124.44 40.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.143 -0.935 . . . . 10.0 108.886 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -110.72 110.73 21.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 119.38 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' P' ' 22' ' ' GLU . 32.5 mt-10 -124.38 129.44 50.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.894 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.03 127.19 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 10.0 110.662 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' N' ' 24' ' ' VAL . 5.9 t -118.86 10.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.296 0.57 . . . . 10.0 109.719 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.44 -71.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.129 -1.034 . . . . 10.0 112.99 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -158.36 109.67 2.19 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.689 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.4 t-20 -66.68 149.34 50.66 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.392 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 63.5 tttp -126.43 -78.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.969 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 158.34 106.32 0.23 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.673 -1.251 . . . . 10.0 113.544 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 162.48 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -107.95 96.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 32' ' ' ILE . . . . . 0.45 HD12 HG12 ' N' ' 32' ' ' ILE . 64.0 mt -105.08 114.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.626 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.54 104.35 0.98 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.305 -0.718 . . . . 10.0 111.305 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 34' ' ' LEU . . . . . 0.836 HD21 HD13 ' O' ' 17' ' ' LEU . 39.4 tp -107.48 113.1 26.22 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.496 ' HG3' ' HG3' ' P' ' 35' ' ' MET . 1.3 ptp -128.69 108.19 10.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.281 0.562 . . . . 10.0 110.998 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -120.98 123.58 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.237 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 37' ' ' GLY . . . . . 0.995 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -141.17 132.68 5.46 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.833 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.27 147.76 19.32 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.746 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' N' ' 39' ' ' VAL . 26.5 m -118.52 142.02 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 10.0 110.497 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.821 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.703 0.287 . . . . 10.0 110.64 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 12' ' ' VAL . . . . . 0.549 HG21 ' N ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -67.04 140.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.624 -0.509 . . . . 10.0 109.624 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -68.54 131.23 44.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -115.15 105.56 13.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -104.58 122.19 45.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.088 0.471 . . . . 10.0 110.849 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -134.36 112.52 11.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD23 ' O' ' 17' ' ' LEU . 6.9 mp -118.79 122.83 43.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.08 124.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.292 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -128.18 131.74 48.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.857 0.36 . . . . 10.0 111.127 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -110.72 129.79 55.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.405 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.72 78.11 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' HB2' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -109.91 158.35 18.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.766 -178.574 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -149.5 151.0 33.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.1 OUTLIER -127.59 29.79 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.524 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.25 -60.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.805 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -151.23 94.04 1.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.689 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 0.2 OUTLIER -60.9 123.27 17.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.783 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' P' P ' 28' ' ' LYS . . . . . 0.519 ' N ' HD22 ' P' ' 27' ' ' ASN . 36.4 tttp -101.08 -83.22 0.45 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.648 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.31 112.02 1.56 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.575 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 179.97 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.844 0.354 . . . . 10.0 111.165 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pt -98.26 113.02 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 32' ' ' ILE . . . . . 0.531 HG21 ' HE2' ' O' ' 19' ' ' PHE . 41.6 mt -117.46 102.19 13.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.996 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 120.56 5.02 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.079 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.45 107.55 13.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 10.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.981 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mpt? -108.05 98.93 8.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.066 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -108.63 126.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.366 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -135.26 154.24 21.55 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.86 139.01 6.95 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.164 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -127.42 138.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -175.8 166.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.121 -0.325 . . . . 10.0 110.121 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 14.5 pt -95.79 -178.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 10.0 110.388 -179.683 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.467 ' H ' HG12 ' A' ' 12' ' ' VAL . 3.0 t-160 -102.71 114.87 29.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.273 -1.33 . . . . 10.0 108.568 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -94.08 87.09 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -103.13 117.46 34.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.725 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -138.59 131.03 28.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.972 0.415 . . . . 10.0 111.67 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.84 109.96 14.84 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -119.75 123.73 71.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.313 0.578 . . . . 10.0 112.457 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -114.55 117.95 32.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.6 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -111.25 107.33 16.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.801 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -108.21 128.95 55.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.883 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 3.1 mm-40 -75.99 173.51 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.384 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -152.9 84.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.802 0.334 . . . . 10.0 111.47 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.867 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 44.5 t -122.89 -37.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.697 0.284 . . . . 10.0 111.011 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.561 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -91.72 -155.63 31.95 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.163 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 p -70.28 128.12 35.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.383 -0.229 . . . . 10.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -58.88 151.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 25.3 tptt -160.02 -144.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.422 -0.808 . . . . 10.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.22 128.65 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.331 -0.938 . . . . 10.0 113.138 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.65 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -83.35 157.27 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.588 0.233 . . . . 10.0 110.597 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.632 ' HB ' HD13 ' B' ' 31' ' ' ILE . 31.7 mm -106.55 90.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' B' ' 32' ' ' ILE . 19.5 pt -105.82 136.75 38.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.623 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.11 95.71 0.58 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 93.67 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.024 0.44 . . . . 10.0 110.822 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.9 mpt? -124.29 77.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.173 0.511 . . . . 10.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.47 119.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.667 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.7 107.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.56 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -135.86 116.32 1.47 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.354 -0.699 . . . . 10.0 111.354 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.36 137.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 10.0 111.221 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' HB ' ' B' ' 40' ' ' VAL . 60.2 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -114.53 112.77 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.146 0.498 . . . . 10.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -124.13 123.66 40.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.762 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -105.94 111.55 24.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.247 -0.888 . . . . 10.0 108.98 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.1 t -114.76 120.54 64.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.02 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.54 117.26 25.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.883 0.373 . . . . 10.0 111.384 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -104.06 118.95 37.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.948 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -127.45 109.62 11.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.883 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 73.9 mt-10 -90.67 152.54 20.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . 0.68 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 13.5 m-20 -141.99 61.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.867 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 46.5 t -80.43 -20.83 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.071 0.462 . . . . 10.0 111.05 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.2 -61.91 1.02 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 10.0 111.783 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.561 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 77.9 p -165.35 120.39 1.3 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.68 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -64.1 148.98 48.61 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.797 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -143.48 -99.19 0.12 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.874 -0.33 . . . . 10.0 111.812 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 172.78 107.15 0.2 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.664 -1.255 . . . . 10.0 113.092 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' CA ' ' C' ' 29' ' ' GLY . . . -89.95 156.7 18.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.637 0.256 . . . . 10.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.81 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.1 mm -99.37 100.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.655 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -114.3 106.1 20.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.787 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.53 114.58 5.05 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.873 -0.679 . . . . 10.0 111.922 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -111.67 91.74 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HA ' ' C' ' 35' ' ' MET . 1.4 mpt? -121.67 90.41 3.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.378 0.609 . . . . 10.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' C' ' 36' ' ' VAL . 43.7 t -101.77 128.35 54.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.457 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.48 118.86 4.08 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.02 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -140.76 113.78 0.89 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.255 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' C' ' 39' ' ' VAL . 35.2 m -124.37 139.25 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.077 0.465 . . . . 10.0 110.729 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 40' ' ' VAL . 46.3 t -125.51 136.83 59.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.153 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ILE . . . . . 0.781 ' HA ' HG13 ' J' ' 31' ' ' ILE . 18.1 tt -64.1 131.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.011 0.434 . . . . 10.0 111.129 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.613 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.613 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.289 0 CA-C-O 121.25 0.547 . . . . 10.0 111.319 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -98.26 120.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.688 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -87.32 96.79 10.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -86.15 110.29 19.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.157 0.503 . . . . 10.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -126.21 93.36 3.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.121 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -105.37 120.6 41.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.842 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.7 mt -116.77 111.97 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.535 HG13 HG13 ' D' ' 18' ' ' VAL . 7.5 p -134.91 132.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -121.2 130.51 53.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.423 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -112.12 99.04 7.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.193 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.0 124.44 49.59 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 66.8 mt-10 -116.82 150.01 39.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.632 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.0 t70 -142.83 125.61 16.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.035 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 8.1 m -137.18 13.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -128.33 -68.65 0.13 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.575 -0.738 . . . . 10.0 112.295 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.0 p -169.87 87.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -53.87 145.94 15.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.797 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 63.4 tttt -129.79 -100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.712 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' B' ' 30' ' ' ALA . . . -175.68 111.57 0.36 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.424 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -82.94 149.39 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' D' ' 31' ' ' ILE . 0.3 OUTLIER -102.28 91.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.655 HG22 HG13 ' D' ' 32' ' ' ILE . 27.4 pt -112.77 129.89 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.372 0.606 . . . . 10.0 112.03 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.17 113.0 2.03 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.04 104.21 13.6 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.521 ' HA ' ' O ' ' B' ' 35' ' ' MET . 2.5 mpt? -126.35 97.56 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.25 0.548 . . . . 10.0 111.049 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB ' ' D' ' 36' ' ' VAL . 25.5 t -102.55 123.29 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.564 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -117.25 114.85 3.08 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.432 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . 0.473 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -130.51 122.22 3.53 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.776 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' B' ' 39' ' ' VAL . 4.2 p -123.43 120.77 61.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.487 0.66 . . . . 10.0 110.806 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.934 -179.135 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 11' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' D' ' 12' ' ' VAL . 3.1 tp10 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 110.775 -0.083 . . . . 10.0 110.775 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.613 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 11.6 p -106.06 132.69 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.196 0.522 . . . . 10.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -61.24 132.33 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -130.68 99.15 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.325 -0.852 . . . . 10.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' E' ' 15' ' ' GLN . 9.7 pt20 -122.33 136.94 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -130.0 118.59 21.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.099 -0.955 . . . . 10.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -109.32 113.66 26.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.314 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.771 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.5 t -124.34 121.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.343 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -117.83 122.96 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.464 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' E' ' 20' ' ' PHE . 98.6 m-85 -101.6 124.76 47.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 97.1 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -101.37 100.73 11.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.282 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -93.02 116.92 29.5 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.95 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 64.9 t -111.68 -30.49 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.896 0.379 . . . . 10.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.09 -123.67 2.88 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.443 -0.884 . . . . 10.0 111.928 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -99.72 98.5 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -51.06 145.98 6.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.969 -0.559 . . . . 10.0 112.003 -179.091 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 42.4 tttm -135.0 -88.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.568 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 155.47 121.87 0.76 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.636 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -92.67 159.88 15.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.442 HD11 HG13 ' K' ' 39' ' ' VAL . 3.2 tp -111.13 98.95 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.702 0.763 . . . . 10.0 109.893 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.913 HG22 ' HB ' ' E' ' 32' ' ' ILE . 1.3 pt -123.5 130.54 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.359 -0.837 . . . . 10.0 111.367 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.28 128.98 7.98 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.467 -0.788 . . . . 10.0 112.188 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.32 95.63 5.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.2 mpt? -115.63 99.26 7.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.422 0.629 . . . . 10.0 111.262 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' C' ' 36' ' ' VAL . 40.3 t -107.83 128.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.239 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' C' ' 37' ' ' GLY . . . -129.62 133.11 7.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.638 -0.791 . . . . 10.0 112.472 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.08 136.42 5.97 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.659 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' E' ' 39' ' ' VAL . 2.2 m -129.36 152.45 37.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.519 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.3 p -156.36 153.88 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 10.0 111.656 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ILE . . . . . 0.56 HD11 HG12 ' M' ' 31' ' ' ILE . 18.3 mm -74.0 130.67 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.6 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.84 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 11' ' ' GLU . . . . . 0.94 ' HA ' HG22 ' F' ' 12' ' ' VAL . 6.1 mp0 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.704 0.764 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.38 130.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.876 -1.057 . . . . 10.0 111.725 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.43 108.75 8.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -97.64 112.97 24.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.035 0.445 . . . . 10.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' D' ' 15' ' ' GLN . 2.1 tt0 -118.07 115.08 24.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.55 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -122.3 120.81 35.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.259 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 41.9 mt -120.64 108.97 14.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.771 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.0 m -125.08 126.55 71.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.275 0.559 . . . . 10.0 112.508 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.402 ' CE2' HG21 ' E' ' 32' ' ' ILE . 24.3 m-85 -121.04 122.89 41.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.602 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.449 ' HA ' ' HB2' ' D' ' 20' ' ' PHE . 55.5 m-85 -105.58 99.56 9.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.071 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 105.99 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 10.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.15 135.72 54.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.132 0.491 . . . . 10.0 111.935 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 149.11 43.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.194 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.6 OUTLIER -140.71 19.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.16 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.84 -53.49 0.01 OUTLIER Glycine 0 C--N 1.333 0.415 0 C-N-CA 119.664 -1.255 . . . . 10.0 114.419 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.4 p -163.74 118.57 1.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.05 0.425 . . . . 10.0 110.581 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -79.31 156.16 28.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.571 . . . . 10.0 112.065 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.7 tttt -141.96 -117.64 0.11 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.22 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -165.69 109.92 0.38 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.384 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.488 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -82.51 153.38 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.648 HG12 HD11 ' L' ' 41' ' ' ILE . 0.6 OUTLIER -111.12 95.79 4.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.913 ' HB ' HG22 ' D' ' 32' ' ' ILE . 25.2 mt -124.2 125.67 70.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.585 -0.446 . . . . 10.0 111.424 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.21 4.03 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.558 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.64 ' HG ' HD23 ' F' ' 34' ' ' LEU . 6.1 mp -109.46 106.55 16.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.508 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 mpt? -121.59 100.13 6.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.1 t -108.07 116.76 52.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.849 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -121.95 124.25 5.7 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.96 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.47 129.04 6.31 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.068 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.558 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.4 p -117.73 115.0 47.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.098 0.475 . . . . 10.0 110.631 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.519 ' HB ' HG23 ' D' ' 40' ' ' VAL . 25.7 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.115 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.075 0.464 . . . . 10.0 110.091 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.991 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.0 t -118.54 114.56 45.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.345 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -87.69 127.96 35.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.051 0.453 . . . . 10.0 111.606 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -123.77 105.18 9.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.377 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 2.3 tt0 -110.99 119.25 38.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.901 0.382 . . . . 10.0 110.859 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -130.38 114.76 15.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.353 0.597 . . . . 10.0 111.751 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.44 118.68 36.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.571 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.828 ' HB ' HG12 ' G' ' 18' ' ' VAL . 13.4 t -123.84 115.06 43.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.727 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.7 126.68 54.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.661 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -105.52 129.29 53.83 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.733 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 86.1 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.438 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' G' ' 22' ' ' GLU . 5.4 pt-20 -109.48 110.99 22.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.152 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' F' ' 27' ' ' ASN . 44.4 m-20 -114.42 119.22 36.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.055 0.455 . . . . 10.0 110.346 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' G' ' 24' ' ' VAL . 32.8 m -100.79 10.34 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.387 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.8 -82.09 0.84 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 p -150.18 100.26 2.89 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.592 -0.522 . . . . 10.0 109.592 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' E' ' 28' ' ' LYS . 1.2 m120 -61.76 142.36 57.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.784 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.654 ' HA ' ' HD3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -123.59 -62.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.592 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 131.29 118.61 2.01 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.114 -1.041 . . . . 10.0 113.752 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -93.89 166.08 12.35 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.599 HG12 HG13 ' N' ' 39' ' ' VAL . 14.7 tt -111.45 113.36 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.759 0.79 . . . . 10.0 111.342 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' E' ' 32' ' ' ILE . 18.1 mt -120.11 125.0 73.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.738 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.5 113.21 2.95 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.64 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.3 mm? -105.11 98.55 8.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.5 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.8 mpt? -116.04 99.49 7.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.205 0.526 . . . . 10.0 110.974 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.09 132.67 53.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.022 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.53 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -133.62 138.28 9.98 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.576 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.88 134.0 6.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.298 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.644 HG13 HG12 ' N' ' 31' ' ' ILE . 47.8 t -125.8 127.09 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.7 p -150.27 129.38 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 pt -76.41 139.22 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.921 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.416 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.096 0.474 . . . . 10.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.991 HG12 ' HB ' ' F' ' 12' ' ' VAL . 8.1 m -130.02 134.18 63.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.127 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 13' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 5.2 t60 -94.05 102.3 14.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -92.36 120.46 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.59 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 0.0 OUTLIER -117.24 99.94 7.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -111.62 111.41 22.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 10.0 111.211 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -114.8 117.65 31.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.828 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.7 m -130.53 130.29 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -125.44 122.29 36.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.293 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.74 105.84 16.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.598 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.21 117.95 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.177 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 22' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' F' ' 22' ' ' GLU . 3.5 pt-20 -134.57 133.3 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.386 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HB2' ' H' ' 27' ' ' ASN . 4.3 t70 -118.87 138.41 52.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.868 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.537 ' HA ' HG22 ' F' ' 24' ' ' VAL . 10.5 t -117.25 1.18 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.286 0.565 . . . . 10.0 110.22 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 25' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -126.54 -73.28 0.19 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.378 -0.915 . . . . 10.0 113.141 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -157.3 110.73 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.861 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 22.3 t-20 -63.49 148.94 47.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 14.8 tttp -124.82 -80.27 0.62 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.716 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 161.69 114.33 0.33 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.851 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.9 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.096 0.158 . . . . 10.0 110.641 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 38.0 mt -107.32 97.39 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 38.0 mt -112.15 114.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.427 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.69 125.75 6.24 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.058 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' H' ' 34' ' ' LEU . 5.0 mp -124.11 109.37 13.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.842 0.353 . . . . 10.0 110.28 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.765 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.4 mpt? -120.83 104.4 9.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.057 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.88 114.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.254 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.763 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -125.28 127.99 6.45 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.238 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.5 138.87 9.3 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.499 -0.858 . . . . 10.0 112.353 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.617 HG12 ' HB ' ' F' ' 39' ' ' VAL . 21.4 m -124.67 139.6 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 10.0 110.698 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 3.8 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.229 -0.286 . . . . 10.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -76.2 133.15 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.619 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 27.6 t60 -72.52 138.62 47.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.959 0.726 . . . . 10.0 112.959 -177.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -123.46 95.53 4.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.859 . . . . 10.0 108.745 178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -93.24 126.41 38.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.878 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -133.69 120.41 20.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.399 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.191 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 t -115.54 117.9 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.244 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.59 133.61 52.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.075 0.464 . . . . 10.0 111.036 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.34 133.77 52.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.029 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.68 70.96 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.796 -0.816 . . . . 10.0 108.796 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 22' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' H' ' 22' ' ' GLU . 0.0 OUTLIER -100.43 148.95 24.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.609 -178.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 23' ' ' ASP . . . . . 0.414 ' O ' HG23 ' G' ' 24' ' ' VAL . 3.6 t70 -145.8 141.21 27.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.196 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.25 31.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 10.0 110.736 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 25' ' ' GLY . . . . . 0.55 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -151.42 -64.68 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.607 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -153.39 92.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.861 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.5 t-20 -47.95 123.95 6.83 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 123.597 0.56 . . . . 10.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -104.63 -80.8 0.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.231 0.539 . . . . 10.0 109.989 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.27 112.8 2.46 Favored Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.425 -0.807 . . . . 10.0 112.3 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.57 -179.28 4.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.576 0.227 . . . . 10.0 110.551 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.77 116.0 46.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.125 0.488 . . . . 10.0 110.743 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -122.75 116.79 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.576 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.73 115.74 3.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.049 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' G' ' 34' ' ' LEU . 3.2 mm? -102.88 99.57 9.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.438 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 6.2 mtm -109.81 103.8 12.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.26 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.29 129.45 66.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.352 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.612 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.03 138.48 10.17 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.041 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.38 130.09 4.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.638 -0.585 . . . . 10.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.486 ' HB ' HD11 ' P' ' 31' ' ' ILE . 0.9 OUTLIER -126.96 135.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.23 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 108.711 -0.848 . . . . 10.0 108.711 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -103.46 100.15 10.0 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -118.95 119.71 35.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.797 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -139.25 125.45 20.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.65 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.451 HD22 HD23 ' I' ' 34' ' ' LEU . 3.9 mp -116.23 101.96 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -111.47 121.22 63.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.487 0.66 . . . . 10.0 112.504 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -113.88 120.04 39.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.193 -0.912 . . . . 10.0 109.647 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.91 109.11 17.64 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.997 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.91 137.74 44.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.817 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 22' ' ' GLU . . . . . 0.729 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 25.7 mm-40 -86.66 167.26 14.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.169 0.509 . . . . 10.0 111.104 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -142.64 89.63 2.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.783 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 48.6 t -127.05 -46.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 10.0 110.131 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 25' ' ' GLY . . . . . 0.606 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -88.06 -156.4 30.49 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.866 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -67.28 129.52 40.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.363 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -65.04 152.66 42.9 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.031 0.752 . . . . 10.0 113.031 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' I' ' 28' ' ' LYS . 6.6 tptm -162.15 -144.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.656 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.57 132.32 3.06 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.159 -1.019 . . . . 10.0 113.409 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.698 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -88.44 139.17 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.351 . . . . 10.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD13 ' J' ' 31' ' ' ILE . 31.2 mm -87.37 90.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.161 0.505 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.4 pt -104.82 128.38 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.075 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 94.36 0.7 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 121.1 -0.571 . . . . 10.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.451 HD23 HD22 ' I' ' 17' ' ' LEU . 6.7 mp -88.53 99.16 12.08 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.553 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.4 mpt? -130.18 68.32 1.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.264 0.554 . . . . 10.0 111.243 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.79 123.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.398 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.21 108.09 1.57 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.987 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 38' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' J' ' 38' ' ' GLY . . . -131.56 122.26 3.36 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.423 HG12 HG12 ' J' ' 39' ' ' VAL . 14.8 p -145.63 138.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.011 0.434 . . . . 10.0 111.034 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.376 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 52.5 m80 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 121.048 0.451 . . . . 10.0 110.268 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' K' ' 15' ' ' GLN . 10.3 tt0 -115.39 116.09 27.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.912 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -127.32 129.24 47.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.523 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.425 ' HB3' ' HE1' ' J' ' 19' ' ' PHE . 6.2 mp -110.1 110.94 22.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.081 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 4.0 t -114.3 117.78 56.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.168 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.425 ' HE1' ' HB3' ' J' ' 17' ' ' LEU . 67.0 m-85 -119.95 115.3 23.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.177 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -104.08 114.58 28.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.02 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.54 111.01 15.77 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 22' ' ' GLU . . . . . 0.594 ' HG2' ' HG3' ' I' ' 22' ' ' GLU . 52.7 mt-10 -92.47 152.23 19.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 23' ' ' ASP . . . . . 0.729 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 m-20 -141.41 59.36 1.51 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.981 0.419 . . . . 10.0 110.3 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.783 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 38.4 t -76.26 -19.07 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.331 0.586 . . . . 10.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.73 -61.63 0.95 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.577 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.606 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 48.8 p -169.62 127.63 0.93 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.571 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 9.8 m120 -68.23 152.11 45.94 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 4.1 tptt -145.14 -90.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.157 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.43 103.15 0.17 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.767 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.493 ' HA ' ' CA ' ' K' ' 29' ' ' GLY . . . -88.1 153.26 21.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.597 0.237 . . . . 10.0 110.704 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.781 HG13 ' HA ' ' B' ' 41' ' ' ILE . 22.0 mm -97.01 100.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 32.0 mt -113.32 108.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.075 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.22 117.36 5.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 10.0 111.581 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.04 85.92 2.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.0 mpt? -118.44 85.28 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.459 0.647 . . . . 10.0 111.239 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.506 HG13 ' HB ' ' K' ' 36' ' ' VAL . 34.1 t -97.26 130.37 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.287 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.17 123.64 5.49 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.631 -0.795 . . . . 10.0 112.353 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 38' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' K' ' 38' ' ' GLY . . . -142.7 116.13 1.0 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.167 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' K' ' 39' ' ' VAL . 28.6 m -125.27 141.23 45.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 10.0 110.581 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -127.77 137.54 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.896 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 41' ' ' ILE . . . . . 0.81 ' HA ' HG13 ' B' ' 31' ' ' ILE . 18.2 tt -64.21 130.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 10.0 111.158 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.675 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' K' K ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.338 0.59 . . . . 10.0 111.254 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -91.42 116.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 10.0 112.521 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -87.38 99.62 12.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -85.68 112.74 21.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.158 0.504 . . . . 10.0 111.933 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 15' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 15.0 tt0 -128.71 91.09 3.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.101 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.74 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -116.59 114.41 24.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' L' ' 18' ' ' VAL . 7.1 p -135.16 131.51 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.005 0.742 . . . . 10.0 113.005 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -121.33 128.37 52.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.883 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -110.32 104.34 13.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.692 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.62 113.11 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 22' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 51.2 mt-10 -105.63 146.98 28.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.918 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' J' ' 22' ' ' GLU . 2.4 t70 -139.45 126.29 20.83 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.016 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 12.1 m -137.6 14.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' L' ' 25' ' ' GLY . . . -130.11 -70.07 0.11 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.075 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.93 82.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 0.124 . . . . 10.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 27' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' J' ' 26' ' ' SER . 58.6 t30 -50.01 144.23 7.04 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 28' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' J' ' 28' ' ' LYS . 29.3 tttt -129.77 -105.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.485 -0.779 . . . . 10.0 111.03 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 29' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' J' ' 30' ' ' ALA . . . -168.27 110.24 0.38 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 119.999 -1.096 . . . . 10.0 113.431 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 30' ' ' ALA . . . . . 0.525 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.89 148.13 27.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 31' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' L' ' 31' ' ' ILE . 0.1 OUTLIER -102.43 90.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' K' K ' 32' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' L' ' 32' ' ' ILE . 34.7 pt -112.9 131.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 10.0 111.795 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.22 115.22 2.47 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.009 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.54 96.87 6.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.006 0.431 . . . . 10.0 110.154 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' K' K ' 35' ' ' MET . . . . . 0.547 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 4.1 mpp? -119.77 95.47 4.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.241 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 36' ' ' VAL . . . . . 0.506 ' HB ' HG13 ' J' ' 36' ' ' VAL . 40.7 t -102.24 121.98 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.563 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 37' ' ' GLY . . . . . 0.441 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -115.88 116.15 3.57 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.965 -0.636 . . . . 10.0 112.378 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 38' ' ' GLY . . . . . 0.46 ' O ' ' HA2' ' J' ' 38' ' ' GLY . . . -129.23 124.69 4.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.69 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' J' ' 39' ' ' VAL . 7.7 p -125.29 121.42 60.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.389 0.614 . . . . 10.0 111.024 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.009 -179.222 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' L' L ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 31.7 mt-10 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 12' ' ' VAL . . . . . 0.458 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 5.3 p -71.73 142.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 112.041 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -81.93 135.36 35.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.557 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -128.09 104.13 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.486 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 15' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 28.8 pt20 -125.83 138.42 53.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.387 0.613 . . . . 10.0 112.371 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -133.77 120.8 20.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.402 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -111.01 115.96 30.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.488 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 18' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' M' ' 18' ' ' VAL . 7.7 t -125.18 122.45 63.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.031 0.443 . . . . 10.0 111.12 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -119.21 122.81 42.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.308 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 98.1 m-85 -102.18 126.82 49.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.638 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.29 97.77 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -99.35 93.68 6.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 1.0 OUTLIER -87.35 114.53 24.05 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 179.59 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' L' L ' 24' ' ' VAL . . . . . 0.55 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 61.4 t -111.79 -25.45 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.828 0.347 . . . . 10.0 111.185 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -98.61 -118.94 4.04 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.6 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -100.16 95.39 6.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.21 145.03 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.608 0.567 . . . . 10.0 112.152 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 28' ' ' LYS . . . . . 0.777 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 27.6 tttm -136.2 -85.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.007 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 29' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 152.85 123.19 0.96 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.125 -1.035 . . . . 10.0 112.943 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 30' ' ' ALA . . . . . 0.55 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -92.21 159.04 15.83 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.162 -0.31 . . . . 10.0 110.162 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 31' ' ' ILE . . . . . 0.497 ' HB ' HD12 ' K' ' 31' ' ' ILE . 3.6 tp -111.21 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.692 0.758 . . . . 10.0 110.14 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 32' ' ' ILE . . . . . 0.828 HG22 ' HB ' ' M' ' 32' ' ' ILE . 6.0 pt -124.43 135.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.374 -0.83 . . . . 10.0 111.333 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.96 128.14 7.12 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.417 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.33 94.32 5.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 35' ' ' MET . . . . . 0.408 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 3.1 mpp? -114.09 96.93 6.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.479 0.657 . . . . 10.0 111.562 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 36' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' K' ' 36' ' ' VAL . 48.0 t -106.84 128.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 37' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' K' ' 37' ' ' GLY . . . -130.89 132.22 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.286 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.82 135.79 5.88 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.379 -0.915 . . . . 10.0 112.799 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' L' L ' 39' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' M' ' 39' ' ' VAL . 1.5 m -127.24 151.28 33.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 40' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' M' ' 40' ' ' VAL . 9.9 p -153.58 154.03 7.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.378 . . . . 10.0 111.686 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 41' ' ' ILE . . . . . 0.648 HD11 HG12 ' E' ' 31' ' ' ILE . 23.0 mm -72.57 131.49 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.945 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.463 179.538 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' M' M ' 11' ' ' GLU . . . . . 0.848 ' HA ' HG22 ' N' ' 12' ' ' VAL . 1.5 mp0 . . . . . 0 CA--C 1.524 -0.045 0 CA-C-O 121.482 0.658 . . . . 10.0 110.518 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 12' ' ' VAL . . . . . 0.415 HG12 HG12 ' L' ' 12' ' ' VAL . 27.8 m -73.1 131.31 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.769 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -73.43 118.08 15.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.601 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -102.89 110.33 22.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.223 0.535 . . . . 10.0 111.602 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 15' ' ' GLN . . . . . 0.478 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 0.7 OUTLIER -119.01 121.12 39.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.249 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -132.58 125.68 31.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.101 0.477 . . . . 10.0 111.258 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 33.2 mt -120.97 111.03 16.99 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.6 OUTLIER -124.7 126.24 71.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.27 0.557 . . . . 10.0 112.482 -178.726 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 19' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' M' ' 34' ' ' LEU . 26.7 m-85 -122.28 124.1 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.893 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 49.8 m-85 -106.91 100.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.46 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.11 108.94 20.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.19 132.45 56.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.821 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 143.19 51.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.223 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 24' ' ' VAL . . . . . 0.55 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -138.57 18.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.017 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 25' ' ' GLY . . . . . 0.486 ' O ' ' HA3' ' L' ' 25' ' ' GLY . . . -152.56 -67.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.621 -1.276 . . . . 10.0 114.253 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.9 121.51 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.544 -0.386 . . . . 10.0 110.297 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -84.56 150.96 24.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.142 0.496 . . . . 10.0 111.078 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 28' ' ' LYS . . . . . 0.777 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 2.1 tttt -139.94 -112.9 0.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.057 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 29' ' ' GLY . . . . . 0.55 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . -175.05 112.52 0.41 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.123 -1.037 . . . . 10.0 113.14 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 30' ' ' ALA . . . . . 0.481 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -83.68 154.18 23.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 31' ' ' ILE . . . . . 0.56 HG12 HD11 ' D' ' 41' ' ' ILE . 0.7 OUTLIER -109.57 96.02 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' M' M ' 32' ' ' ILE . . . . . 0.828 ' HB ' HG22 ' L' ' 32' ' ' ILE . 26.4 mt -122.36 126.45 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 10.0 111.095 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.23 114.25 2.44 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.852 -0.689 . . . . 10.0 111.877 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 34' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.0 mp -103.3 106.62 17.18 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 35' ' ' MET . . . . . 0.849 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.0 mmt -118.96 101.36 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.233 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 36' ' ' VAL . . . . . 0.42 HG11 HE22 ' M' ' 15' ' ' GLN . 31.1 t -109.7 117.72 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 37' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -122.85 123.59 5.4 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.529 -0.843 . . . . 10.0 112.741 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.64 128.08 5.61 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' M' M ' 39' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.3 p -117.97 114.06 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.274 0.559 . . . . 10.0 110.576 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' M' M ' 40' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' L' ' 40' ' ' VAL . 26.2 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.196 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.958 0.409 . . . . 10.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' N' N ' 12' ' ' VAL . . . . . 0.975 ' HB ' HG12 ' O' ' 12' ' ' VAL . 6.2 t -102.0 127.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.804 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -97.87 129.95 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.113 0.482 . . . . 10.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -124.32 114.41 19.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.163 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -122.71 114.22 20.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.867 0.365 . . . . 10.0 110.904 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -128.72 116.95 20.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.455 0.645 . . . . 10.0 111.914 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.91 118.13 35.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.174 -0.921 . . . . 10.0 109.405 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 18' ' ' VAL . . . . . 0.834 ' HB ' HG12 ' O' ' 18' ' ' VAL . 5.1 t -121.49 115.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.073 0.463 . . . . 10.0 110.416 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.29 125.41 51.03 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.595 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.26 86.35 2.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -109.48 116.51 31.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.062 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' O' ' 23' ' ' ASP . 43.3 m-20 -116.76 118.66 33.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 24' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' O' ' 24' ' ' VAL . 32.7 m -98.71 9.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.64 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.28 -86.43 1.1 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.728 -0.749 . . . . 10.0 111.603 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.76 102.67 3.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.825 -0.435 . . . . 10.0 109.825 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 27' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' M' ' 28' ' ' LYS . 1.4 m120 -63.32 145.68 55.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.898 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' M' ' 28' ' ' LYS . 0.0 OUTLIER -127.49 -65.5 0.93 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.706 -0.85 . . . . 10.0 108.706 178.618 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' N' N ' 29' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 133.98 120.22 2.06 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 119.962 -1.113 . . . . 10.0 113.538 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 30' ' ' ALA . . . . . 0.486 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -95.47 165.89 12.13 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 31' ' ' ILE . . . . . 0.644 HG12 HG13 ' F' ' 39' ' ' VAL . 12.6 tt -110.99 113.82 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.821 0.82 . . . . 10.0 111.236 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 32' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' M' ' 32' ' ' ILE . 16.6 mt -120.07 122.31 68.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.642 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.44 113.56 3.28 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 111.381 -0.688 . . . . 10.0 111.381 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 34' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.3 mm? -104.62 101.88 11.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 35' ' ' MET . . . . . 0.53 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 1.8 mpt? -118.79 100.32 7.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.194 0.521 . . . . 10.0 111.037 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 t -110.32 130.36 63.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.914 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -134.52 134.28 7.29 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.691 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.11 135.41 7.89 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' N' N ' 39' ' ' VAL . . . . . 0.599 HG13 HG12 ' F' ' 31' ' ' ILE . 46.2 t -125.59 126.62 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 40' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 5.3 p -150.22 131.84 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 41' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' P' ' 42' ' ' ALA . 8.9 pt -80.42 135.29 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.561 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.234 0.54 . . . . 10.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' O' O ' 12' ' ' VAL . . . . . 0.975 HG12 ' HB ' ' N' ' 12' ' ' VAL . 11.0 m -123.67 131.34 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.283 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.42 102.59 15.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.813 -1.18 . . . . 10.0 107.813 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.81 110.44 22.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.12 0.486 . . . . 10.0 112.071 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.98 100.76 10.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -112.27 111.75 22.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.915 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -115.85 118.57 33.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 18' ' ' VAL . . . . . 0.834 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.8 m -130.37 131.53 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.786 0.662 . . . . 10.0 112.786 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -126.49 123.9 38.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.075 -0.966 . . . . 10.0 109.147 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.97 105.44 15.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.901 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.07 119.15 34.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 22' ' ' GLU . . . . . 0.686 ' HG3' ' HB3' ' P' ' 22' ' ' GLU . 1.6 pt-20 -137.69 129.0 27.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.564 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 23' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' P' ' 27' ' ' ASN . 4.7 t70 -112.74 143.08 44.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.991 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 24' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' N' ' 24' ' ' VAL . 24.5 t -119.62 -1.28 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.374 0.607 . . . . 10.0 110.162 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 25' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -127.67 -69.42 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.325 -0.941 . . . . 10.0 113.491 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -157.21 110.84 2.59 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.754 -0.263 . . . . 10.0 110.772 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 27' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 22.2 t-20 -64.07 148.9 48.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.252 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 28' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 56.2 tttp -126.02 -77.5 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.565 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 159.07 114.31 0.38 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.894 -1.146 . . . . 10.0 112.942 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.16 163.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 40.9 mt -109.35 98.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -111.55 115.46 49.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.289 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 33' ' ' GLY . . . . . 0.424 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.6 122.65 5.22 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.323 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.13 107.54 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 35' ' ' MET . . . . . 0.763 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 2.2 mpt? -118.57 103.47 9.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.407 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -113.2 115.63 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.842 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 37' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -129.77 121.55 3.47 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.029 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 139.19 10.52 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.428 -0.892 . . . . 10.0 112.956 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' O' O ' 39' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' N' ' 39' ' ' VAL . 19.5 m -120.4 143.66 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.855 0.36 . . . . 10.0 110.336 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' O' O ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.6 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.808 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 12' ' ' VAL . . . . . 0.557 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -79.77 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -67.52 133.18 49.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -114.93 96.19 5.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -94.21 121.93 36.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.022 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -133.02 113.83 13.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.474 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.0 119.15 33.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.781 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.81 124.44 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.529 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -130.59 137.11 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 10.0 110.841 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -113.79 130.03 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.75 73.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 22' ' ' GLU . . . . . 0.686 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -103.49 151.65 22.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.747 -179.306 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 23' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' P' ' 25' ' ' GLY . 0.4 OUTLIER -144.89 148.2 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.246 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 24' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.4 t -122.48 13.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 10.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 25' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -130.03 -62.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.508 -0.854 . . . . 10.0 112.248 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -159.43 98.19 1.39 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 27' ' ' ASN . . . . . 0.816 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 38.9 t-20 -49.07 119.62 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.826 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' O' ' 28' ' ' LYS . 42.3 tttp -95.33 -87.29 0.28 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.232 0.539 . . . . 10.0 110.31 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.3 1.59 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.904 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.27 176.25 5.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 31' ' ' ILE . . . . . 0.486 HD11 ' HB ' ' H' ' 39' ' ' VAL . 0.0 OUTLIER -103.91 115.68 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.05 0.452 . . . . 10.0 110.581 179.415 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mt -121.5 118.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.375 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' CG1' ' H' ' 39' ' ' VAL . . . -116.32 121.18 5.12 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.589 -0.815 . . . . 10.0 112.816 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 34' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' P' ' 34' ' ' LEU . 2.7 mm? -111.15 87.43 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.361 . . . . 10.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 35' ' ' MET . . . . . 0.612 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 4.7 mpp? -97.54 101.31 12.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.992 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 37.5 t -109.37 122.17 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.834 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 37' ' ' GLY . . . . . 0.438 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -119.3 154.93 16.26 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.318 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.77 132.31 3.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.117 -0.563 . . . . 10.0 111.808 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 39' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' P' ' 40' ' ' VAL . 0.8 OUTLIER -132.41 143.7 39.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.66 0.267 . . . . 10.0 111.613 -179.418 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' P' P ' 40' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' P' ' 39' ' ' VAL . 7.2 p 177.48 164.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.47 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -169.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.159 -0.312 . . . . 10.0 110.159 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 42' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.742 -0.647 . . . . 10.0 109.755 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.783 ' HB2' HG21 ' B' ' 12' ' ' VAL . 4.1 mm-40 . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.702 0.287 . . . . 10.0 110.439 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.34 149.0 11.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.593 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 6.8 t60 -66.89 117.55 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.874 -0.788 . . . . 10.0 108.874 178.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.67 84.97 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.128 0.489 . . . . 10.0 111.461 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HB2' ' CD2' ' A' ' 13' ' ' HIS . 50.4 tp60 -97.13 119.29 35.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -130.18 121.52 26.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.963 0.411 . . . . 10.0 111.565 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' A' ' 34' ' ' LEU . 18.8 mt -121.17 109.8 15.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.56 -0.904 . . . . 10.0 108.56 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.33 130.38 67.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -121.72 120.75 35.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.394 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.06 109.57 19.04 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.003 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -110.0 136.36 49.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.192 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.765 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.8 mm-40 -87.35 167.99 13.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.088 0.471 . . . . 10.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -144.2 94.17 2.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.572 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 43.0 t -132.21 -40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 110.189 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.94 -154.84 30.94 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.421 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.9 OUTLIER -74.26 125.48 28.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.63 -0.137 . . . . 10.0 110.63 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -59.32 149.82 27.8 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 30.8 tptt -150.71 -108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.628 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.479 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 165.01 125.06 0.74 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.368 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.7 153.6 20.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.696 0.284 . . . . 10.0 111.246 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.671 ' HB ' HD13 ' B' ' 31' ' ' ILE . 36.8 mm -103.89 98.34 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.244 0.545 . . . . 10.0 110.145 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' HB ' ' B' ' 32' ' ' ILE . 21.0 pt -111.27 135.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.57 96.65 0.54 Allowed Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.147 -0.781 . . . . 10.0 111.147 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD23 HD13 ' A' ' 17' ' ' LEU . 7.4 mp -92.02 85.81 5.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.503 . . . . 10.0 111.37 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.44 65.62 0.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.518 0.675 . . . . 10.0 110.35 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.45 124.42 39.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.06 123.09 6.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.05 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.52 106.57 0.37 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.365 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.88 140.2 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 10.0 110.944 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' B' ' 40' ' ' VAL . 61.9 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.492 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.818 0.342 . . . . 10.0 110.794 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 11' ' ' GLU . 21.0 t -125.6 129.84 72.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.23 125.54 32.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -121.69 79.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.194 -0.912 . . . . 10.0 108.972 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -97.99 125.04 42.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.713 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -133.01 122.24 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.663 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.492 ' HB2' HD23 ' A' ' 17' ' ' LEU . 7.2 mp -112.51 115.18 28.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.704 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.5 t -119.41 118.9 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.003 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.34 121.36 38.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 10.0 111.617 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.7 125.48 51.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.88 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -134.39 107.62 7.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 mt-10 -88.9 154.51 20.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.701 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.5 m-20 -144.48 58.35 1.32 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 62.4 t -76.54 -25.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.97 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 -62.42 1.3 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.178 -1.01 . . . . 10.0 111.335 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.709 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 21.9 p -166.99 124.02 1.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.701 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 9.7 m120 -61.98 153.02 30.65 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.614 0.571 . . . . 10.0 110.531 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 21.4 tptt -147.74 -111.5 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.714 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.642 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -179.24 105.59 0.2 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.767 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -88.13 156.45 19.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.574 0.226 . . . . 10.0 110.633 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.918 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.0 mm -100.53 101.97 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.475 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -116.2 106.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.748 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.96 115.8 5.4 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.809 -0.71 . . . . 10.0 112.012 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -110.27 90.61 3.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.466 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 1.5 mpt? -121.26 78.98 1.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.328 0.585 . . . . 10.0 111.134 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.691 HG13 ' HB ' ' C' ' 36' ' ' VAL . 44.7 t -96.81 130.84 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.143 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.75 122.45 5.02 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.826 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -136.25 116.69 1.49 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.881 -0.676 . . . . 10.0 111.553 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' C' ' 39' ' ' VAL . 34.8 m -129.41 143.54 40.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.032 0.444 . . . . 10.0 110.688 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' A' ' 40' ' ' VAL . 41.5 t -130.09 140.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.937 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.937 ' HA ' HG13 ' J' ' 31' ' ' ILE . 7.2 tp -62.2 135.38 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.045 0.45 . . . . 10.0 111.094 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.585 179.699 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.728 0.775 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -84.27 120.75 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.994 -1.003 . . . . 10.0 111.762 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -74.35 87.05 2.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.383 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.1 m170 -74.44 112.93 11.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.247 0.546 . . . . 10.0 111.651 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -124.05 100.1 6.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.23 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -110.43 118.17 35.56 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.011 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.464 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 52.5 mt -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.998 -1.112 . . . . 10.0 107.998 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' D' ' 18' ' ' VAL . 9.8 p -131.28 131.73 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 113.075 0.768 . . . . 10.0 113.075 -178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 16.2 m-85 -122.08 129.1 52.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.732 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.37 97.43 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.178 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 112.62 25.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.869 0.366 . . . . 10.0 110.168 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 53.2 mt-10 -103.7 153.79 20.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.053 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.564 ' HB2' HD21 ' D' ' 27' ' ' ASN . 2.6 t70 -146.52 124.89 12.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.832 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' D' ' 24' ' ' VAL . 1.7 m -138.93 19.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.78 -64.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.481 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -170.58 82.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.796 0.298 . . . . 10.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 58.2 t30 -52.29 145.0 11.7 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 69.0 tttt -132.03 -105.87 0.26 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -162.64 107.46 0.31 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.394 -1.384 . . . . 10.0 113.963 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -80.23 147.77 31.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' D' ' 31' ' ' ILE . 0.5 OUTLIER -107.91 92.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.111 0.481 . . . . 10.0 110.217 -179.207 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.822 HG22 ' HB ' ' D' ' 32' ' ' ILE . 15.4 pt -116.3 132.53 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.406 0.622 . . . . 10.0 112.138 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.73 114.47 2.45 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.321 -0.854 . . . . 10.0 111.584 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.463 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.4 mp -106.49 102.54 11.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.79 0.328 . . . . 10.0 110.372 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 2.2 mpt? -124.92 91.84 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 10.0 110.957 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.691 ' HB ' HG13 ' B' ' 36' ' ' VAL . 46.4 t -98.61 123.8 51.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.98 122.04 5.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.703 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . 0.422 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -135.7 124.58 3.34 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.077 -0.582 . . . . 10.0 112.034 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' B' ' 39' ' ' VAL . 4.4 p -130.12 121.16 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.436 0.636 . . . . 10.0 111.023 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' D' ' 42' ' ' ALA . 28.6 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.692 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 4.8 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -104.91 131.22 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 10.0 111.651 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.625 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 5.2 t-160 -86.78 126.83 34.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.56 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.532 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 96.8 m-70 -124.6 98.42 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -109.33 128.89 55.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.141 0.496 . . . . 10.0 111.503 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -131.56 114.98 15.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.053 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -110.84 115.34 29.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.38 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' C' ' 18' ' ' VAL . 11.9 t -124.14 122.75 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.821 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 41.3 m-85 -121.4 126.6 49.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.593 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.49 127.56 53.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.48 98.04 4.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -102.06 90.69 4.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.853 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -84.66 113.54 21.35 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.496 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.8 t -111.25 -30.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.98 -94.12 0.99 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.372 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.442 ' C ' HD22 ' E' ' 27' ' ' ASN . 23.6 m -132.6 103.33 6.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.564 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -56.01 149.66 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.652 -0.704 . . . . 10.0 112.132 -178.54 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 11.2 tttm -141.01 -78.51 0.28 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 10.0 111.114 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 150.91 119.82 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.553 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -99.81 164.31 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.494 0.187 . . . . 10.0 110.746 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.584 HD13 ' HB ' ' C' ' 31' ' ' ILE . 1.8 mm -105.07 115.81 47.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.822 ' HB ' HG22 ' C' ' 32' ' ' ILE . 76.5 mt -131.32 114.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.921 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -109.19 118.46 5.23 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.395 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.463 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.4 mm? -108.09 97.16 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.607 ' HB2' ' HG3' ' E' ' 35' ' ' MET . 1.7 mpt? -118.43 92.45 3.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.374 0.607 . . . . 10.0 111.045 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' C' ' 36' ' ' VAL . 61.8 t -98.08 121.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.783 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.425 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -116.76 118.24 4.1 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.335 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.35 127.63 4.76 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' HA3' ' L' ' 33' ' ' GLY . 11.0 m -133.08 144.69 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.485 HG13 HG13 ' C' ' 40' ' ' VAL . 7.3 p -154.41 140.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.136 0.494 . . . . 10.0 111.985 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.414 HG12 HG23 ' M' ' 31' ' ' ILE . 18.0 mm -75.35 122.28 28.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.16 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ALA . . . . . 0.557 ' HB2' HG12 ' C' ' 40' ' ' VAL . . . . . . . . 0 C--O 1.238 0.455 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.206 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.586 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mp0 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.812 0.815 . . . . 10.0 109.785 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' D' ' 14' ' ' HIS . 29.1 m -78.03 145.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.391 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.625 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 5.8 t60 -97.89 91.56 5.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -85.98 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.166 0.507 . . . . 10.0 111.014 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -119.27 105.84 11.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.43 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -119.23 120.99 38.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 10.0 112.049 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -120.76 109.8 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.703 -0.851 . . . . 10.0 108.703 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 t -125.24 128.08 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.113 0.482 . . . . 10.0 111.971 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.412 ' CE1' HD21 ' E' ' 34' ' ' LEU . 22.7 m-85 -123.41 125.63 45.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.92 106.88 17.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.05 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.96 104.2 11.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -113.44 139.52 48.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.578 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.57 145.63 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.648 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.474 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -142.02 20.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.878 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.76 -50.21 0.01 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 119.687 -1.244 . . . . 10.0 114.429 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.84 125.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.033 0.417 . . . . 10.0 110.98 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.442 HD22 ' C ' ' D' ' 26' ' ' SER . 5.2 m-80 -92.37 149.53 21.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.365 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.778 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 59.4 tttt -132.72 -92.38 0.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.23 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . 173.03 106.81 0.2 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.142 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.626 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.98 166.07 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.684 ' HB ' HD12 ' F' ' 31' ' ' ILE . 0.3 OUTLIER -120.48 90.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -113.88 121.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.015 0.436 . . . . 10.0 111.349 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 120.56 4.52 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.762 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.659 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.8 mp -114.07 100.19 8.2 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.607 ' HG3' ' HB2' ' D' ' 35' ' ' MET . 2.7 mpt? -122.16 100.65 7.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.27 0.557 . . . . 10.0 110.773 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.563 HG12 ' HB ' ' F' ' 36' ' ' VAL . 16.2 m -109.8 139.5 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.93 122.65 4.18 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.708 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.67 1.21 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.68 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.542 HG23 ' CG2' ' D' ' 39' ' ' VAL . 13.9 p -107.51 109.8 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.674 . . . . 10.0 110.737 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.235 0.31 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.887 -179.526 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' G' ' 11' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.102 0.477 . . . . 10.0 110.731 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.609 ' HB ' HG12 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -109.54 108.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.561 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -85.84 124.7 32.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.649 0.261 . . . . 10.0 111.225 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -126.0 90.19 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 10.0 110.12 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.474 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 7.1 tt0 -107.44 118.7 37.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.422 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' F' ' 16' ' ' LYS . 19.2 ptmt -131.79 122.23 25.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.529 0.681 . . . . 10.0 111.953 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -116.22 115.35 25.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.111 -0.95 . . . . 10.0 108.875 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.68 ' HB ' HG12 ' G' ' 18' ' ' VAL . 20.4 t -123.44 119.61 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.992 0.425 . . . . 10.0 110.634 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.441 ' HE2' HG21 ' G' ' 32' ' ' ILE . 18.9 m-85 -117.11 126.33 52.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.56 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.82 125.93 49.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.77 84.76 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -108.15 107.57 18.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.926 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.664 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 47.7 m-20 -106.89 124.45 49.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.036 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.454 HG22 ' O ' ' G' ' 23' ' ' ASP . 18.7 m -103.9 -0.9 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.525 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.53 -82.83 1.16 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.382 -0.913 . . . . 10.0 112.388 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -139.97 111.12 7.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -74.11 141.69 45.61 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' G' ' 28' ' ' LYS . 0.3 OUTLIER -122.58 -90.32 0.58 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 166.95 113.27 0.27 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.011 -1.09 . . . . 10.0 112.739 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.458 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -91.54 154.83 18.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.678 -0.489 . . . . 10.0 109.678 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.684 HD12 ' HB ' ' E' ' 31' ' ' ILE . 6.3 tp -100.59 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.621 0.724 . . . . 10.0 109.781 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.458 HG12 HD12 ' G' ' 32' ' ' ILE . 28.1 mt -115.18 123.65 71.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.756 . . . . 10.0 111.243 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.481 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -123.43 116.99 3.07 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.575 -0.61 . . . . 10.0 111.575 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.659 HD23 ' HG ' ' E' ' 34' ' ' LEU . 1.9 mm? -108.41 102.63 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.479 ' HG2' ' CA ' ' N' ' 37' ' ' GLY . 2.0 mpp? -117.37 101.95 8.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 10.0 111.126 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.563 ' HB ' HG12 ' E' ' 36' ' ' VAL . 59.4 t -111.89 124.51 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.831 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' N' ' 35' ' ' MET . . . -123.27 130.92 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.784 -0.722 . . . . 10.0 113.015 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 130.92 6.91 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.923 -0.656 . . . . 10.0 111.885 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.734 ' HB ' HG12 ' G' ' 39' ' ' VAL . 87.7 t -124.86 124.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 7.4 p -148.75 138.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 10.0 111.807 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.59 121.13 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.014 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.011 179.725 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.461 ' C ' HG11 ' H' ' 12' ' ' VAL . 16.1 mm-40 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.194 0.521 . . . . 10.0 110.2 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.609 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.4 m -110.03 131.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -96.92 93.25 6.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.25 98.64 10.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.41 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 1.1 tt0 -106.87 95.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -110.41 117.47 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.8 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.627 HD13 HD23 ' G' ' 34' ' ' LEU . 21.6 mt -123.32 112.42 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.68 HG12 ' HB ' ' F' ' 18' ' ' VAL . 10.7 m -129.06 137.87 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.991 0.737 . . . . 10.0 112.991 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -126.1 128.64 47.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.199 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -109.9 108.42 18.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.518 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.12 121.47 36.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -133.3 129.5 37.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.664 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.1 t70 -101.54 148.66 24.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.723 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' F' ' 24' ' ' VAL . 38.3 t -124.41 -26.95 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 110.775 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -116.75 -64.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.473 -0.87 . . . . 10.0 113.147 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -159.57 116.81 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.903 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 16.7 t-20 -80.39 154.16 27.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 10.0 110.54 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 1.0 OUTLIER -123.58 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.017 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 161.21 119.01 0.5 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.238 -0.982 . . . . 10.0 112.99 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.33 160.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.816 HD12 ' HB ' ' H' ' 31' ' ' ILE . 21.6 mt -97.88 99.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.458 HD12 HG12 ' F' ' 32' ' ' ILE . 65.1 mt -110.32 106.86 21.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.908 0.385 . . . . 10.0 110.45 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.546 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -118.84 112.26 2.29 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.576 -0.821 . . . . 10.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.627 HD23 HD13 ' G' ' 17' ' ' LEU . 8.5 mp -110.4 109.75 20.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.828 0.347 . . . . 10.0 110.278 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.767 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 11.2 mmt -117.21 104.1 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.823 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -115.04 114.53 46.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.497 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.755 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -125.83 126.62 5.9 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.64 -0.791 . . . . 10.0 112.202 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.52 134.15 6.68 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.58 -0.819 . . . . 10.0 112.764 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.734 HG12 ' HB ' ' F' ' 39' ' ' VAL . 32.8 m -121.51 136.88 56.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.76 0.314 . . . . 10.0 110.684 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 2.1 p . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.517 0.198 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.588 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.92 143.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.86 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -63.47 122.44 16.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.61 112.82 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -115.16 126.87 55.12 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.063 0.459 . . . . 10.0 111.335 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -132.94 113.03 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.551 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' G' ' 17' ' ' LEU . 5.0 mp -123.93 111.98 16.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.885 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.441 HG13 HG23 ' G' ' 18' ' ' VAL . 18.0 t -119.83 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.228 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -127.54 132.07 49.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.8 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -110.37 131.98 54.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.19 87.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.867 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 151.85 22.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.769 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.82 155.44 32.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.98 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -134.34 9.88 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.845 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -170.04 -63.4 0.04 OUTLIER Glycine 0 C--N 1.331 0.255 0 C-N-CA 119.87 -1.157 . . . . 10.0 113.666 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -134.05 92.2 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.353 -0.498 . . . . 10.0 111.023 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.903 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 13.7 t-20 -66.03 138.17 57.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.846 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -121.78 -77.1 0.58 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.97 120.21 3.01 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.69 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 172.39 7.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.816 ' HB ' HD12 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -89.48 117.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.147 0.499 . . . . 10.0 111.095 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mt -124.53 109.66 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.946 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.37 122.79 5.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.034 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -112.73 106.95 15.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.705 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.3 mpp? -107.49 104.86 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.857 0.361 . . . . 10.0 110.743 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -105.36 126.09 60.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.251 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.659 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.69 132.93 7.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.341 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.39 134.74 7.33 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.114 -0.565 . . . . 10.0 112.28 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' P' ' 31' ' ' ILE . 2.7 m -131.67 139.2 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.459 0.171 . . . . 10.0 110.714 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.24 162.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 pt -84.99 -173.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.587 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.443 -0.789 . . . . 10.0 110.471 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.759 ' HB2' HG21 ' J' ' 12' ' ' VAL . 3.1 mm-40 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.319 -0.252 . . . . 10.0 110.319 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 t -103.1 146.49 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.822 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.31 112.94 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.561 -0.903 . . . . 10.0 108.561 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -96.21 92.9 6.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.227 0.537 . . . . 10.0 111.665 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -106.4 123.15 47.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.192 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -131.76 124.68 30.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.869 0.366 . . . . 10.0 111.407 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.541 HD13 HD23 ' I' ' 34' ' ' LEU . 25.2 mt -123.13 107.66 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.09 128.66 70.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.96 118.65 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.112 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.33 99.46 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.389 . . . . 10.0 111.341 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.51 129.44 49.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.823 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.816 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 3.8 mm-40 -84.73 173.33 10.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.085 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.494 ' HA ' HD21 ' J' ' 27' ' ' ASN . 39.5 t0 -153.42 90.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.788 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.809 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 47.0 t -123.09 -41.26 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.783 0.325 . . . . 10.0 110.295 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -86.93 -144.77 8.74 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.14 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 2.0 p -83.49 123.85 30.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.925 0.363 . . . . 10.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -57.75 149.92 21.02 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -150.49 -106.03 0.07 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.771 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.84 121.68 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.667 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.725 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.67 163.42 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.718 0.294 . . . . 10.0 111.353 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD13 ' J' ' 31' ' ' ILE . 41.5 mm -111.71 102.51 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 109.794 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.471 HG22 ' HB ' ' J' ' 32' ' ' ILE . 13.1 pt -115.14 123.11 70.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.544 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.42 93.83 0.79 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.424 -0.67 . . . . 10.0 111.424 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.541 HD23 HD13 ' I' ' 17' ' ' LEU . 6.8 mp -90.19 93.14 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.877 0.37 . . . . 10.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.413 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.3 mpt? -123.02 64.88 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' J' ' 36' ' ' VAL . 32.9 t -85.01 123.56 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.5 114.58 3.29 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.156 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 117.02 1.65 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.77 141.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.909 0.385 . . . . 10.0 111.125 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' J' ' 40' ' ' VAL . 57.5 t . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.516 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.147 0.499 . . . . 10.0 110.057 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.759 HG21 ' HB2' ' I' ' 11' ' ' GLU . 10.5 t -128.8 127.94 67.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.18 123.34 29.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -119.94 78.17 1.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -101.25 122.76 44.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.461 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -131.5 121.84 25.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.35 0.595 . . . . 10.0 111.743 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.2 mp -108.61 115.99 31.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.292 -0.867 . . . . 10.0 109.559 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 5.3 t -119.22 117.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.005 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -119.9 121.23 38.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.918 0.389 . . . . 10.0 111.617 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -105.82 126.75 52.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.508 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.63 105.89 6.03 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.816 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.5 mt-10 -88.17 154.99 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.682 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 7.6 m-20 -144.23 60.07 1.35 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.809 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 59.8 t -78.41 -24.76 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 111.087 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.16 -63.85 1.19 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.396 -0.907 . . . . 10.0 111.847 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.412 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 95.0 p -162.15 123.14 2.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.682 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 7.9 m120 -64.01 149.25 47.81 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.899 0.38 . . . . 10.0 110.106 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.656 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 10.9 tptt -144.69 -117.37 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.421 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.725 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -171.89 105.88 0.22 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.173 -1.013 . . . . 10.0 112.636 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -87.18 154.23 20.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.438 0.161 . . . . 10.0 110.574 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.937 HG13 ' HA ' ' B' ' 41' ' ' ILE . 16.6 mm -99.91 102.07 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.471 ' HB ' HG22 ' I' ' 32' ' ' ILE . 23.9 mt -115.96 108.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.604 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.41 113.76 4.76 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.676 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.8 91.6 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.456 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 1.8 mpt? -122.08 81.38 1.82 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.37 0.605 . . . . 10.0 111.049 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.595 HG13 ' HB ' ' K' ' 36' ' ' VAL . 47.2 t -98.57 131.4 45.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.26 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.99 122.29 5.04 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.561 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.77 113.51 1.05 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.827 -0.702 . . . . 10.0 111.799 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' K' ' 39' ' ' VAL . 34.5 m -128.22 144.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.055 0.455 . . . . 10.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' I' ' 40' ' ' VAL . 39.3 t -130.25 141.46 46.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.1 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.918 ' HA ' HG13 ' B' ' 31' ' ' ILE . 7.0 tp -63.11 132.93 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.936 0.398 . . . . 10.0 111.173 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.142 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.381 0.61 . . . . 10.0 110.606 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.01 128.68 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 10.0 112.358 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -84.17 91.46 7.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.151 -0.931 . . . . 10.0 108.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -75.36 109.33 8.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.271 0.558 . . . . 10.0 112.139 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -120.4 98.77 6.21 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -111.18 118.93 37.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.938 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 43.0 mt -119.86 112.22 18.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' L' ' 18' ' ' VAL . 9.1 p -133.51 131.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 15.1 m-85 -121.21 128.63 52.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.754 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -110.1 98.83 8.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.838 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.65 112.66 25.48 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 22.6 mt-10 -105.16 154.47 20.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.209 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.645 ' HB2' HD21 ' L' ' 27' ' ' ASN . 2.7 t70 -147.12 122.68 10.44 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.316 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 5.6 m -136.11 15.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.71 -63.32 0.12 Allowed Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.326 -0.852 . . . . 10.0 112.674 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.4 p -175.94 85.27 0.03 OUTLIER 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.269 -0.271 . . . . 10.0 110.269 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 59.8 t30 -53.44 146.55 12.35 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 31.7 tttt -133.06 -103.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.753 . . . . 10.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -165.21 107.92 0.31 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.356 -1.402 . . . . 10.0 114.13 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -80.6 146.25 31.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.616 ' HB ' HD13 ' L' ' 31' ' ' ILE . 0.4 OUTLIER -106.07 92.0 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.182 0.515 . . . . 10.0 109.983 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.856 HG22 ' HB ' ' L' ' 32' ' ' ILE . 13.1 pt -115.46 131.03 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.346 0.594 . . . . 10.0 112.208 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.43 115.07 2.73 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.534 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.459 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -107.38 102.67 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.879 0.371 . . . . 10.0 110.189 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.456 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 2.2 mpt? -124.74 91.7 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.273 0.558 . . . . 10.0 110.886 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.595 ' HB ' HG13 ' J' ' 36' ' ' VAL . 49.2 t -98.75 125.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.39 120.69 4.79 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.514 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.72 124.07 3.35 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.076 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' J' ' 39' ' ' VAL . 4.4 p -129.05 120.4 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.354 0.597 . . . . 10.0 111.042 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' K' K ' 40' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' L' ' 42' ' ' ALA . 25.7 t . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.726 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.213 0.054 . . . . 10.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 p -112.26 130.23 66.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.843 0.354 . . . . 10.0 110.576 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 13' ' ' HIS . . . . . 0.489 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 9.5 t-160 -87.58 132.25 34.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.252 0.549 . . . . 10.0 112.283 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -130.38 97.79 4.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.912 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.098 0.475 . . . . 10.0 111.166 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -134.31 114.02 12.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.4 mp -110.7 115.39 29.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.665 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' K' ' 18' ' ' VAL . 8.4 t -123.72 121.4 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.632 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 38.0 m-85 -120.54 124.71 46.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.493 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.38 125.51 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.194 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.49 96.34 4.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -100.62 86.51 3.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.541 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 23' ' ' ASP . . . . . 0.596 ' HA ' HD21 ' M' ' 27' ' ' ASN . 0.7 OUTLIER -80.22 119.49 23.05 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 80.4 t -120.03 -28.11 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.847 0.356 . . . . 10.0 111.685 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.2 -78.73 1.28 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.324 -0.941 . . . . 10.0 112.825 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -152.47 99.64 2.5 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 27' ' ' ASN . . . . . 0.645 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -52.88 147.65 8.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 10.0 112.176 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 15.2 tttm -137.98 -79.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.856 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 29' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 157.57 117.23 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.058 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -102.95 160.82 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.404 0.145 . . . . 10.0 110.678 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.616 HD13 ' HB ' ' K' ' 31' ' ' ILE . 2.8 mm -103.04 116.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.52 0.512 . . . . 10.0 110.044 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.856 ' HB ' HG22 ' K' ' 32' ' ' ILE . 86.9 mt -131.87 114.22 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.676 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 33' ' ' GLY . . . . . 0.638 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -109.97 119.43 5.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.488 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.3 mm? -109.3 97.03 6.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.619 ' HB2' ' HG3' ' M' ' 35' ' ' MET . 1.7 mpt? -117.5 92.45 3.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.297 0.57 . . . . 10.0 110.934 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' K' ' 36' ' ' VAL . 49.3 t -98.63 119.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.613 -0.722 . . . . 10.0 110.024 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -114.94 118.49 4.34 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.242 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.41 128.37 4.84 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' D' ' 33' ' ' GLY . 11.0 m -133.31 146.03 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.602 0.239 . . . . 10.0 110.454 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.451 HG13 HG13 ' K' ' 40' ' ' VAL . 7.1 p -155.67 138.7 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.097 0.475 . . . . 10.0 112.009 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 15.3 mm -74.76 125.37 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.302 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' L' L ' 42' ' ' ALA . . . . . 0.628 ' HB2' HG12 ' K' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' N' ' 11' ' ' GLU . 8.2 mp0 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.494 0.664 . . . . 10.0 110.049 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.26 144.11 13.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.246 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 13' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 3.7 t-160 -103.78 92.88 4.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.15 -1.056 . . . . 10.0 108.15 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.83 114.6 26.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.224 0.535 . . . . 10.0 111.83 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -119.4 102.17 8.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.493 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -112.71 116.98 30.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.064 0.459 . . . . 10.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.401 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 51.1 mt -121.09 111.4 17.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 t -130.08 130.42 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.127 0.489 . . . . 10.0 111.87 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' M' ' 34' ' ' LEU . 19.2 m-85 -124.01 129.08 50.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.775 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -107.82 109.47 21.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.44 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.33 105.66 13.12 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.54 138.43 49.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.528 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.66 147.33 51.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.641 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' N' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 22.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.837 178.388 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.16 -54.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.122 -1.037 . . . . 10.0 113.412 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -168.87 126.59 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.584 0.23 . . . . 10.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 27' ' ' ASN . . . . . 0.596 HD21 ' HA ' ' L' ' 23' ' ' ASP . 6.5 m120 -90.95 148.12 22.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.831 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 20.5 tttm -130.5 -95.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.067 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 29' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . 176.46 107.95 0.22 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.346 -0.93 . . . . 10.0 112.855 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.599 ' HA ' ' CA ' ' N' ' 29' ' ' GLY . . . -85.03 166.98 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD12 ' N' ' 31' ' ' ILE . 0.3 OUTLIER -121.22 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mt -114.25 122.61 68.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.932 0.396 . . . . 10.0 111.224 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.25 120.21 4.25 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.785 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' N' ' 34' ' ' LEU . 5.9 mp -113.47 101.63 9.54 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.619 ' HG3' ' HB2' ' L' ' 35' ' ' MET . 2.7 mpt? -122.91 103.7 8.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.363 0.601 . . . . 10.0 110.738 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.571 HG12 ' HB ' ' N' ' 36' ' ' VAL . 15.6 m -112.49 140.36 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.71 122.38 3.94 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.66 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.5 1.19 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.653 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' L' ' 39' ' ' VAL . 12.2 p -107.94 109.17 27.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 10.0 110.845 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 24.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.119 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' M' ' 11' ' ' GLU . 3.9 tp10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.171 0.51 . . . . 10.0 110.348 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.701 ' HB ' HG12 ' O' ' 12' ' ' VAL . 3.1 t -104.28 109.87 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -86.66 127.68 34.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.732 0.301 . . . . 10.0 111.448 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.78 91.06 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 15' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' O' ' 15' ' ' GLN . 6.5 tt0 -106.46 119.4 39.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.347 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -133.64 121.69 22.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.397 0.618 . . . . 10.0 111.801 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.9 mp -116.0 114.25 24.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.036 -0.984 . . . . 10.0 108.892 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.713 ' HB ' HG12 ' O' ' 18' ' ' VAL . 16.2 t -121.71 115.69 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.644 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 19' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' O' ' 32' ' ' ILE . 18.1 m-85 -114.05 128.09 56.23 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.47 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -105.67 130.75 53.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.694 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.66 88.79 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.64 107.17 17.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.094 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 23' ' ' ASP . . . . . 0.872 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 42.2 m-20 -105.54 118.89 37.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.249 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.753 ' HA ' HG23 ' M' ' 24' ' ' VAL . 33.7 m -101.14 -5.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.0 -78.79 1.12 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.342 -0.933 . . . . 10.0 111.907 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.36 113.98 6.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 3.2 m120 -73.91 144.33 45.39 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' O' ' 28' ' ' LYS . 0.2 OUTLIER -124.98 -96.83 0.44 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.012 -0.275 . . . . 10.0 110.642 178.538 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' M' ' 30' ' ' ALA . . . 175.96 107.39 0.21 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.258 -0.972 . . . . 10.0 112.965 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.548 ' HA ' ' CA ' ' O' ' 29' ' ' GLY . . . -90.09 153.22 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.725 HD12 ' HB ' ' M' ' 31' ' ' ILE . 5.6 tp -101.26 102.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 10.0 110.401 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.429 HG12 HD12 ' O' ' 32' ' ' ILE . 29.2 mt -117.5 124.59 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.126 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 33' ' ' GLY . . . . . 0.452 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -125.38 117.52 2.98 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.514 -0.634 . . . . 10.0 111.514 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.649 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -109.06 103.8 12.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.463 ' HG2' ' CA ' ' F' ' 37' ' ' GLY . 2.1 mpp? -117.59 102.88 9.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.097 0.475 . . . . 10.0 111.24 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.571 ' HB ' HG12 ' M' ' 36' ' ' VAL . 54.3 t -112.57 125.47 69.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.978 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' F' ' 35' ' ' MET . . . -124.95 130.82 7.54 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.767 -0.73 . . . . 10.0 113.111 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.18 131.84 7.36 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.899 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' O' ' 39' ' ' VAL . 85.1 t -125.29 123.79 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 7.6 p -150.19 138.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 10.0 111.513 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.417 ' H ' HG13 ' N' ' 41' ' ' ILE . 3.2 mt -72.55 126.79 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.775 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.173 0.511 . . . . 10.0 110.788 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' O' O ' 12' ' ' VAL . . . . . 0.701 HG12 ' HB ' ' N' ' 12' ' ' VAL . 7.5 m -117.18 132.7 66.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.475 0.655 . . . . 10.0 112.643 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -97.4 95.67 7.83 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 14' ' ' HIS . . . . . 0.479 ' HB2' ' ND1' ' P' ' 14' ' ' HIS . 23.7 m170 -84.65 99.51 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.177 0.513 . . . . 10.0 112.209 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' HA ' ' N' ' 15' ' ' GLN . 4.1 tp60 -104.91 95.26 5.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -113.16 114.37 26.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 10.0 111.746 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.634 HD13 HD23 ' O' ' 34' ' ' LEU . 20.2 mt -121.98 116.4 24.25 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.713 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.9 m -132.75 137.49 53.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.097 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -111.18 101.99 10.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -108.38 119.44 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -124.26 130.33 52.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 23' ' ' ASP . . . . . 0.872 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 3.9 t70 -108.15 148.44 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.334 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 14.5 t -130.43 -29.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.348 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 25' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -117.36 -64.92 0.33 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.215 -0.993 . . . . 10.0 113.172 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -156.42 112.79 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.88 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 18.9 t-20 -77.0 154.31 33.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 10.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 57.2 tttp -123.63 -89.41 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.051 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.548 ' CA ' ' HA ' ' N' ' 30' ' ' ALA . . . 172.89 110.46 0.24 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.148 -1.025 . . . . 10.0 112.748 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.88 159.14 17.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.621 0.248 . . . . 10.0 110.562 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.902 HD12 ' HB ' ' P' ' 31' ' ' ILE . 16.0 mt -97.79 99.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.444 HG21 ' HE2' ' N' ' 19' ' ' PHE . 69.3 mt -110.52 108.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.841 0.353 . . . . 10.0 110.404 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 33' ' ' GLY . . . . . 0.534 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.03 114.35 2.58 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.214 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.634 HD23 HD13 ' O' ' 17' ' ' LEU . 8.9 mp -112.14 111.17 21.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.129 -0.323 . . . . 10.0 110.129 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.755 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 10.8 mmt -117.74 103.66 10.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.849 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 t -114.21 115.23 49.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.234 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 37' ' ' GLY . . . . . 0.767 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -126.86 124.66 5.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.54 134.7 7.14 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.305 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.786 HG12 ' HB ' ' N' ' 39' ' ' VAL . 32.1 m -121.93 139.75 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.941 0.401 . . . . 10.0 111.052 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.232 0.158 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 12' ' ' VAL . . . . . 0.593 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -77.22 141.2 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.545 179.217 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -60.78 120.02 9.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 14' ' ' HIS . . . . . 0.479 ' ND1' ' HB2' ' O' ' 14' ' ' HIS . 88.9 m-70 -117.91 111.08 18.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -114.93 127.42 55.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 10.0 111.183 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -134.57 115.71 14.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.25 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.84 119.96 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.973 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 18' ' ' VAL . . . . . 0.439 HG13 HG23 ' O' ' 18' ' ' VAL . 12.1 t -126.36 123.33 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.613 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -125.32 130.45 52.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.882 0.372 . . . . 10.0 110.844 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -108.46 136.68 47.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.998 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -147.7 94.02 2.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.89 152.01 27.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.073 0.463 . . . . 10.0 111.428 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -123.31 155.88 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.602 -0.727 . . . . 10.0 109.838 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.0 OUTLIER -137.81 12.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.674 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -167.0 -67.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.934 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -133.2 97.93 4.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.775 0.322 . . . . 10.0 110.299 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.88 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 9.0 t-20 -68.87 141.82 54.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.716 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -126.76 -75.29 0.58 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.169 0.509 . . . . 10.0 109.872 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.76 128.41 3.98 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.923 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.91 172.24 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.902 ' HB ' HD12 ' O' ' 31' ' ' ILE . 0.0 OUTLIER -91.53 112.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.137 0.494 . . . . 10.0 110.612 179.432 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mt -120.54 109.68 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.42 118.96 4.28 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.86 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.44 108.32 18.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.877 0.37 . . . . 10.0 110.238 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.659 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 3.7 mpp? -108.07 105.54 15.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.806 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -106.11 129.61 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.828 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 37' ' ' GLY . . . . . 0.705 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -136.19 134.97 7.48 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.694 -0.765 . . . . 10.0 112.472 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.81 136.99 8.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.919 -0.658 . . . . 10.0 111.989 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.528 ' HB ' HD11 ' H' ' 31' ' ' ILE . 2.8 m -130.32 138.81 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.519 0.2 . . . . 10.0 110.843 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.88 160.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 pt -89.06 -175.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.633 0.254 . . . . 10.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.207 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.24 158.85 7.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.397 . . . . 10.0 111.699 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.82 115.54 17.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 24.7 m170 -99.04 94.28 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 10.0 110.729 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' B' ' 15' ' ' GLN . 58.4 tp60 -105.38 123.86 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.714 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -140.04 131.55 27.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 10.0 111.961 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 17' ' ' LEU . 2.1 mt -126.3 104.07 8.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.425 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -115.52 121.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.455 0.645 . . . . 10.0 112.548 -178.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -115.77 114.63 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.316 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.41 114.25 27.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.798 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.5 136.48 51.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.59 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.8 mm-40 -83.41 173.94 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.571 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.67 ' HA ' HD21 ' B' ' 27' ' ' ASN . 36.2 t70 -156.79 77.45 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.074 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.723 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 23.8 t -109.92 -42.16 5.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.966 0.412 . . . . 10.0 110.465 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.61 -154.02 29.7 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.841 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 116.77 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 148.13 38.46 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 9.9 tptm -153.17 -146.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.006 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.42 127.18 2.05 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 119.927 -1.13 . . . . 10.0 113.346 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -81.64 150.42 28.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 10.0 110.727 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG12 ' B' ' 31' ' ' ILE . 21.2 mm -100.81 92.37 2.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.267 0.556 . . . . 10.0 110.025 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.639 HG22 ' HB ' ' B' ' 32' ' ' ILE . 15.7 pt -110.21 130.12 64.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.478 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.55 95.92 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' B' ' 34' ' ' LEU . 6.3 mp -91.79 101.75 14.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.319 . . . . 10.0 110.96 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -126.39 75.89 1.57 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.189 0.519 . . . . 10.0 110.474 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -83.67 114.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.197 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.56 118.66 5.87 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.48 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.06 119.44 1.72 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.542 -1.023 . . . . 10.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.58 130.79 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.562 0.696 . . . . 10.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' B' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.168 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.96 0.409 . . . . 10.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.782 ' HB ' HG12 ' C' ' 12' ' ' VAL . 3.9 t -106.41 119.51 55.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.294 -0.412 . . . . 10.0 109.894 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.5 122.58 30.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.967 0.413 . . . . 10.0 110.942 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.455 ' HD2' ' HB ' ' C' ' 12' ' ' VAL . 70.7 m-70 -124.2 84.63 2.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.619 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' C' ' 15' ' ' GLN . 9.1 tt0 -107.51 125.73 51.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.15 0.5 . . . . 10.0 111.437 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -135.1 123.04 22.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.354 0.597 . . . . 10.0 111.407 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 7.3 mp -110.67 116.18 30.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.153 -0.931 . . . . 10.0 109.154 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.3 t -117.39 122.23 69.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.351 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -122.69 118.22 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.34 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -106.89 115.95 31.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.823 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.17 114.92 20.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 62.7 mt-10 -89.9 158.88 17.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.782 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 5.9 m-20 -147.99 56.83 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.723 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 27.6 t -78.6 -20.37 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.117 0.485 . . . . 10.0 111.266 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.54 -64.26 1.01 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.264 -0.97 . . . . 10.0 111.484 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.422 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 68.9 p -167.29 119.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.67 HD21 ' HA ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -61.36 152.1 30.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.315 0.384 . . . . 10.0 110.175 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.712 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -144.76 -95.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 121.067 -0.253 . . . . 10.0 111.673 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 171.43 95.55 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 119.716 -1.23 . . . . 10.0 113.007 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.63 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -83.4 147.35 27.93 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.759 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -96.72 116.79 39.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.879 0.847 . . . . 10.0 109.817 179.466 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 32' ' ' ILE . 37.8 mt -129.26 119.33 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.209 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.19 120.6 6.22 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 1.9 mm? -115.02 86.79 2.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.514 ' HG2' ' HA2' ' J' ' 37' ' ' GLY . 2.1 mpt? -116.2 88.69 2.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.395 0.617 . . . . 10.0 111.484 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 t -91.6 135.29 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.292 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.539 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.45 103.19 0.96 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.85 -0.691 . . . . 10.0 112.782 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.17 102.85 1.5 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.506 ' HB ' HG23 ' C' ' 39' ' ' VAL . 3.9 t -111.89 116.75 53.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.567 0.222 . . . . 10.0 110.494 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 40' ' ' VAL . 46.0 t -125.92 132.04 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.586 0.232 . . . . 10.0 110.514 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.54 136.68 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.86 0.362 . . . . 10.0 110.493 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.032 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.671 0.748 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.782 HG12 ' HB ' ' B' ' 12' ' ' VAL . 7.3 m -91.11 115.62 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.907 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -75.15 98.41 3.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.482 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.434 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.2 m170 -89.26 104.57 17.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.283 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HB3' ' HG3' ' B' ' 15' ' ' GLN . 5.6 tt0 -114.35 103.18 10.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.305 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -114.22 119.71 37.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.924 0.392 . . . . 10.0 111.87 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.555 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 48.9 mt -120.5 112.71 19.29 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.359 -0.978 . . . . 10.0 108.359 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.689 HG13 HG13 ' D' ' 18' ' ' VAL . 7.1 p -132.24 130.97 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.505 0.669 . . . . 10.0 112.61 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.588 ' HE2' HD11 ' D' ' 32' ' ' ILE . 11.1 m-85 -119.98 127.91 53.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.145 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -108.31 113.01 25.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.696 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.66 113.7 20.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 10.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 51.5 mt-10 -103.33 151.91 22.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.218 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.435 ' HB2' HD21 ' D' ' 27' ' ' ASN . 4.4 t0 -141.03 114.93 9.08 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.362 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.0 7.55 4.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -129.4 -62.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.896 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.2 p -172.75 92.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.721 0.261 . . . . 10.0 110.898 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -55.68 143.94 28.72 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.494 0.496 . . . . 10.0 111.648 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.712 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 32.8 ttmt -128.59 -105.12 0.31 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.63 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -166.45 109.94 0.38 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.245 -0.979 . . . . 10.0 113.129 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.577 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -83.85 164.77 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' D' ' 31' ' ' ILE . 1.7 mt -120.65 88.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.568 HG22 HG12 ' D' ' 32' ' ' ILE . 23.9 pt -115.58 127.24 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.08 0.466 . . . . 10.0 111.853 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.52 115.68 3.0 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.723 -0.751 . . . . 10.0 111.947 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.506 HD23 HD13 ' C' ' 17' ' ' LEU . 6.7 mp -105.96 103.67 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.422 . . . . 10.0 110.482 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.4 mpp? -123.86 89.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.023 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' D' ' 36' ' ' VAL . 40.1 t -98.17 113.16 32.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.01 119.96 5.2 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.669 -0.776 . . . . 10.0 112.891 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.1 120.79 3.01 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' B' ' 39' ' ' VAL . 13.4 p -117.75 119.75 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.494 0.664 . . . . 10.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.678 -179.312 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.384 0.135 . . . . 10.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.51 134.36 25.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.723 0.297 . . . . 10.0 111.033 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 1.0 OUTLIER -84.38 130.86 34.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 71.7 m-70 -132.72 89.99 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.075 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 25.4 pt20 -113.05 137.1 51.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.596 0.712 . . . . 10.0 112.451 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -138.12 119.61 14.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.741 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 mp -112.64 118.15 34.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' E' ' 18' ' ' VAL . 7.6 t -123.84 125.41 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.026 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.77 124.45 47.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.329 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.72 122.97 46.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.086 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.32 105.05 8.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -108.16 79.95 1.31 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.423 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.6 OUTLIER -75.53 114.81 14.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.63 -19.97 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.137 0.494 . . . . 10.0 111.209 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -95.53 -83.03 1.63 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.437 -0.887 . . . . 10.0 112.615 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.435 ' C ' HD22 ' E' ' 27' ' ' ASN . 41.9 m -144.16 100.14 3.5 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.435 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.8 OUTLIER -52.21 148.94 5.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.291 -178.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.863 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 58.8 tttm -138.82 -81.46 0.31 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.649 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.577 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 149.97 113.99 0.67 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.921 -1.133 . . . . 10.0 113.724 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.715 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -82.47 158.49 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.795 HG12 ' HB ' ' C' ' 31' ' ' ILE . 0.1 OUTLIER -116.57 103.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 122.128 0.966 . . . . 10.0 110.119 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.588 HD11 ' HE2' ' C' ' 19' ' ' PHE . 45.7 pt -129.92 147.13 33.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.687 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' L' ' 39' ' ' VAL . . . -125.43 125.63 5.67 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.335 -0.848 . . . . 10.0 111.832 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -105.88 95.6 5.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.599 ' HG2' ' HA2' ' L' ' 37' ' ' GLY . 2.7 mpt? -116.39 104.45 11.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.172 0.51 . . . . 10.0 111.489 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' C' ' 36' ' ' VAL . 26.9 t -106.51 128.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.276 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.544 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -119.1 115.68 3.13 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.713 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.25 125.77 6.18 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.11 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' E' ' 39' ' ' VAL . 58.8 t -128.8 125.35 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -146.56 136.21 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.949 0.405 . . . . 10.0 111.928 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.414 ' HB ' HG21 ' L' ' 31' ' ' ILE . 0.0 OUTLIER -83.89 135.42 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.413 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.246 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.66 ' HG3' ' HG2' ' F' ' 11' ' ' GLU . 1.7 mp0 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.53 0.681 . . . . 10.0 110.542 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -74.73 141.6 15.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.121 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 3.4 t60 -95.9 88.81 5.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.289 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -81.75 115.27 20.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.747 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 45.3 tt0 -132.0 106.34 7.97 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.967 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -126.91 126.89 44.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.085 0.469 . . . . 10.0 111.915 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.691 HD22 HD23 ' E' ' 34' ' ' LEU . 4.2 mp -125.45 118.76 26.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -128.83 128.67 67.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.137 0.494 . . . . 10.0 112.075 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.47 124.57 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.316 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -106.28 114.12 28.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.001 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 106.48 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -110.88 132.74 53.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.283 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.68 145.13 48.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.756 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -138.32 5.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.064 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' F' ' 25' ' ' GLY . . . -137.86 -64.05 0.05 OUTLIER Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.014 -1.088 . . . . 10.0 113.777 -177.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -157.76 130.53 7.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.435 HD22 ' C ' ' D' ' 26' ' ' SER . 5.3 m-80 -91.76 149.4 21.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.964 0.412 . . . . 10.0 111.45 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.863 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 58.0 mttt -130.2 -105.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.286 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -170.93 109.35 0.31 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.037 -1.078 . . . . 10.0 113.05 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.508 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -81.55 150.09 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' F' ' 31' ' ' ILE . 1.1 mt -110.87 94.55 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB ' ' F' ' 32' ' ' ILE . 21.3 mt -120.2 127.15 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.957 0.408 . . . . 10.0 111.107 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.39 113.85 2.81 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.047 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.691 HD23 HD22 ' E' ' 17' ' ' LEU . 7.0 mp -102.61 102.79 13.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.778 ' HG3' ' HG3' ' F' ' 35' ' ' MET . 0.0 OUTLIER -126.12 91.02 3.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.496 0.665 . . . . 10.0 111.152 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.543 HG12 ' HB ' ' F' ' 36' ' ' VAL . 4.0 m -106.01 130.48 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.084 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' SD ' ' M' ' 35' ' ' MET . . . -131.1 136.87 9.07 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.307 -0.949 . . . . 10.0 113.035 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.06 126.6 3.58 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.99 -0.624 . . . . 10.0 111.647 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.456 HG23 ' HB ' ' D' ' 39' ' ' VAL . 11.7 p -120.13 117.28 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.413 0.625 . . . . 10.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' F' ' 42' ' ' ALA . 22.1 t . . . . . 0 C--O 1.236 0.393 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.564 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.66 ' HG2' ' HG3' ' E' ' 11' ' ' GLU . 3.7 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.013 0.435 . . . . 10.0 110.155 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.907 ' HB ' HG12 ' G' ' 12' ' ' VAL . 14.2 t -92.29 103.49 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -77.04 127.23 32.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.82 0.343 . . . . 10.0 111.443 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -125.86 89.5 3.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.758 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.41 116.14 31.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.99 0.424 . . . . 10.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -132.24 121.17 23.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.267 0.556 . . . . 10.0 111.997 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.41 116.18 27.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.208 -0.905 . . . . 10.0 109.22 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.857 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.9 t -121.15 120.87 63.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.818 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -120.85 123.25 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.37 131.13 52.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.29 90.15 2.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 10.0 109.838 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.63 105.99 15.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.909 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 16.8 m-20 -106.79 117.3 33.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.709 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' G' ' 24' ' ' VAL . 27.8 m -100.88 15.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 10.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' E' ' 25' ' ' GLY . . . -122.57 -87.43 0.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.318 -0.713 . . . . 10.0 111.318 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -144.16 100.05 3.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 1.2 m120 -62.66 128.47 36.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.789 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.59 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 0.3 OUTLIER -109.7 -61.71 1.6 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.467 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 133.04 120.73 2.15 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.356 -0.926 . . . . 10.0 113.043 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -95.39 165.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.604 HG12 HG13 ' N' ' 39' ' ' VAL . 8.7 tt -112.84 112.27 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.648 0.737 . . . . 10.0 111.249 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.615 ' HB ' HG23 ' E' ' 32' ' ' ILE . 19.4 mt -119.86 126.82 75.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.307 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.99 2.67 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.782 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -101.37 98.19 8.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.811 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 2.1 mpt? -117.41 93.41 4.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.907 0.384 . . . . 10.0 110.836 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.543 ' HB ' HG12 ' E' ' 36' ' ' VAL . 44.3 t -110.65 130.11 64.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.743 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -132.44 135.07 7.91 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.61 -0.805 . . . . 10.0 113.057 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.45 132.4 6.76 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.013 -0.613 . . . . 10.0 112.06 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.591 ' HB ' HG12 ' G' ' 39' ' ' VAL . 40.2 t -123.48 131.03 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.3 p -153.06 132.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 10.0 111.869 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.421 HG23 HG12 ' O' ' 31' ' ' ILE . 7.5 pt -72.57 139.42 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.715 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.55 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.406 ' C ' HG11 ' H' ' 12' ' ' VAL . 14.7 mm-40 . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.027 0.441 . . . . 10.0 110.264 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.907 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.6 m -116.93 134.7 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.458 0.647 . . . . 10.0 112.532 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -96.27 93.21 6.76 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -84.77 104.74 15.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.131 0.491 . . . . 10.0 111.508 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -113.22 94.19 4.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -111.33 117.87 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.623 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 mt -120.88 116.4 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.9 m -129.31 131.83 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.05 123.6 38.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.402 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -105.32 114.92 29.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.02 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -118.15 126.59 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.024 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -130.11 140.47 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.125 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.456 ' O ' HG22 ' F' ' 24' ' ' VAL . 6.4 t70 -130.42 132.26 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' F' ' 24' ' ' VAL . 26.7 t -120.2 1.4 7.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.352 0.596 . . . . 10.0 109.98 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.44 -69.39 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.044 -1.074 . . . . 10.0 113.327 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -153.78 103.18 2.58 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.468 -0.431 . . . . 10.0 110.939 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.756 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 19.7 t-20 -58.53 142.28 49.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -123.31 -59.68 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.095 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 123.64 123.54 2.82 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.99 -1.1 . . . . 10.0 112.775 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -102.01 172.17 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.622 0.249 . . . . 10.0 110.854 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.455 HG12 HG23 ' N' ' 41' ' ' ILE . 16.3 mt -103.72 101.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 108.573 -0.899 . . . . 10.0 108.573 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mt -113.11 112.63 41.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.762 0.315 . . . . 10.0 110.442 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -117.02 123.5 5.82 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.461 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -121.94 104.65 9.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.694 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 0.0 OUTLIER -121.62 106.45 11.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.47 0.653 . . . . 10.0 111.047 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' H' ' 36' ' ' VAL . 45.8 t -114.38 124.44 71.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.09 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.917 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -132.69 123.62 3.57 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.27 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.26 135.2 7.32 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.55 -0.833 . . . . 10.0 112.468 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.591 HG12 ' HB ' ' F' ' 39' ' ' VAL . 14.9 m -119.11 138.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.852 0.358 . . . . 10.0 110.56 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.064 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.15 138.33 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.757 0.313 . . . . 10.0 110.925 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.42 125.21 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -118.77 108.0 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.873 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -111.61 130.62 55.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.383 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -137.99 111.26 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.422 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.426 HD23 ' HG ' ' H' ' 34' ' ' LEU . 7.3 mp -117.7 116.31 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.08 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -122.86 128.24 75.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.369 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -130.93 137.44 49.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.529 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -116.06 112.19 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 10.0 111.935 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -118.07 82.47 1.84 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -102.93 154.73 18.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.013 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -140.81 149.29 41.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.901 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -130.91 10.06 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.776 0.322 . . . . 10.0 110.59 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.96 -56.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.417 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -156.81 102.75 2.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.749 0.275 . . . . 10.0 110.62 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.756 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 27.4 t-20 -53.86 135.72 41.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.755 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 32.5 tttp -116.42 -158.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.756 0.312 . . . . 10.0 110.708 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.755 ' H ' ' HG2' ' H' ' 28' ' ' LYS . . . -135.13 98.61 0.3 Allowed Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 121.14 -0.552 . . . . 10.0 111.897 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.41 156.51 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.94 116.17 46.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 10.0 111.108 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 38.3 mt -127.47 121.75 57.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.876 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.16 123.94 4.58 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.404 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' H' ' 17' ' ' LEU . 2.7 mm? -113.19 102.44 10.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.398 . . . . 10.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.625 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 1.7 mpt? -105.54 104.46 14.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.144 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' G' ' 36' ' ' VAL . 48.8 t -109.18 127.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.95 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' P' ' 35' ' ' MET . . . -137.0 151.35 20.96 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.493 -0.861 . . . . 10.0 112.953 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.38 132.79 2.96 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.891 -0.484 . . . . 10.0 111.891 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.533 HG11 ' HA3' ' P' ' 33' ' ' GLY . 34.8 m -125.05 129.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 10.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 13.7 p -159.13 154.4 4.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.581 0.229 . . . . 10.0 110.698 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 31.2 pt -81.32 169.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.371 . . . . 10.0 110.918 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.659 -0.686 . . . . 10.0 109.952 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.689 0.281 . . . . 10.0 110.641 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -102.37 155.87 4.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.194 0.521 . . . . 10.0 111.628 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -80.81 106.62 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.137 -1.06 . . . . 10.0 108.137 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 14' ' ' HIS . . . . . 0.449 ' HB2' ' ND1' ' J' ' 14' ' ' HIS . 52.1 m170 -90.11 79.17 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.087 0.47 . . . . 10.0 112.027 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.471 ' OE1' ' HB3' ' J' ' 15' ' ' GLN . 61.9 tp60 -87.7 122.92 31.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.414 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -136.9 130.38 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.977 0.418 . . . . 10.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' J' ' 17' ' ' LEU . 8.0 mt -125.44 106.75 10.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.42 HG23 HG13 ' J' ' 18' ' ' VAL . 0.8 OUTLIER -117.98 120.35 64.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -178.666 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.91 117.95 32.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.596 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -112.78 113.46 25.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.949 0.404 . . . . 10.0 111.002 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.01 134.9 54.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.688 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 2.4 mt-10 -85.84 176.36 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.91 0.386 . . . . 10.0 110.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 23' ' ' ASP . . . . . 0.621 ' HA ' HD21 ' J' ' 27' ' ' ASN . 32.0 t70 -156.02 78.14 0.96 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.61 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.786 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.0 t -109.33 -40.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.864 0.364 . . . . 10.0 110.442 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -92.05 -147.68 21.06 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.082 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.95 116.06 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.96 150.08 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.376 0.51 . . . . 10.0 112.376 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -164.95 -167.91 1.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.457 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.52 132.74 6.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.678 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.756 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.37 147.75 26.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.703 0.287 . . . . 10.0 110.383 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.507 ' HB ' HG12 ' J' ' 31' ' ' ILE . 27.2 mm -96.82 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.17 0.509 . . . . 10.0 110.121 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.578 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.5 pt -110.53 131.98 60.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.429 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 100.08 0.83 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.174 -0.77 . . . . 10.0 111.174 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.494 HD23 HD13 ' I' ' 17' ' ' LEU . 6.0 mp -96.3 99.17 10.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 10.0 111.101 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -124.05 79.26 1.71 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.194 0.521 . . . . 10.0 110.471 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' J' ' 36' ' ' VAL . 40.1 t -86.59 114.89 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.889 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.53 111.13 3.35 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.362 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.23 112.98 1.36 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.751 -0.94 . . . . 10.0 110.751 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.98 131.17 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.46 0.647 . . . . 10.0 111.983 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' J' ' 40' ' ' VAL . 59.5 t . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.294 -0.866 . . . . 10.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.983 0.421 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.745 ' HB ' HG12 ' K' ' 12' ' ' VAL . 3.9 t -116.83 122.26 69.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.724 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -90.18 121.43 32.2 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.024 0.44 . . . . 10.0 111.203 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 14' ' ' HIS . . . . . 0.449 ' ND1' ' HB2' ' I' ' 14' ' ' HIS . 64.5 m-70 -124.31 84.7 2.31 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.471 ' HB3' ' OE1' ' I' ' 15' ' ' GLN . 9.1 tt0 -103.35 123.89 47.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 10.0 111.71 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -129.54 123.6 31.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.505 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.3 mp -112.76 117.26 31.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.293 179.153 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.0 t -119.03 122.97 70.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.4 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -123.05 116.79 24.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.901 0.382 . . . . 10.0 111.25 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.98 114.09 28.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.052 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.2 115.36 21.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' HG3' ' I' ' 22' ' ' GLU . 58.4 mt-10 -95.71 156.08 16.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.586 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.0 m-20 -143.91 59.07 1.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.786 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 41.4 t -77.36 -21.89 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 10.0 111.183 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.68 -63.28 1.11 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.151 -1.023 . . . . 10.0 111.223 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.7 p -169.17 124.16 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.621 HD21 ' HA ' ' I' ' 23' ' ' ASP . 0.8 OUTLIER -64.62 154.17 37.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.37 0.419 . . . . 10.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 8.5 tptt -145.82 -91.18 0.1 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.133 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.756 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.47 93.19 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 119.915 -1.136 . . . . 10.0 112.862 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.685 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -81.41 148.58 29.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' K' ' 31' ' ' ILE . 0.4 OUTLIER -97.69 117.16 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.723 0.773 . . . . 10.0 109.774 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.578 ' HB ' HG22 ' I' ' 32' ' ' ILE . 35.2 mt -129.19 119.83 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.865 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -108.45 118.72 5.45 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' I' ' 34' ' ' LEU . 1.8 mm? -112.92 88.22 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.539 ' HG2' ' HA2' ' B' ' 37' ' ' GLY . 2.2 mpt? -116.14 88.64 2.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.448 0.642 . . . . 10.0 111.275 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.4 ' HB ' HG13 ' I' ' 36' ' ' VAL . 40.5 t -92.62 133.04 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.572 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 0.514 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.48 105.17 1.18 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.768 -0.73 . . . . 10.0 112.575 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.46 105.74 1.78 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.082 -0.807 . . . . 10.0 111.082 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.451 HG12 HG23 ' B' ' 31' ' ' ILE . 2.6 t -113.15 116.23 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.748 0.309 . . . . 10.0 110.708 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.524 ' HB ' HG22 ' I' ' 40' ' ' VAL . 46.4 t -125.37 128.58 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.622 0.248 . . . . 10.0 110.534 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' B' ' 31' ' ' ILE . 8.1 tp -66.85 127.76 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.159 0.504 . . . . 10.0 111.437 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.408 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.593 0.711 . . . . 10.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.745 HG12 ' HB ' ' J' ' 12' ' ' VAL . 14.4 m -92.35 119.61 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.961 -1.018 . . . . 10.0 111.672 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.07 93.94 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.343 -0.844 . . . . 10.0 108.999 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 14' ' ' HIS . . . . . 0.52 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 0.2 OUTLIER -85.88 96.04 9.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.143 0.497 . . . . 10.0 111.333 -179.684 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -104.9 106.64 17.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.116 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 16' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 88.5 tttt -117.18 122.54 44.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.038 0.447 . . . . 10.0 112.189 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 41.8 mt -122.38 113.89 20.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.699 HG13 HG13 ' L' ' 18' ' ' VAL . 7.6 p -133.37 132.32 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.504 0.669 . . . . 10.0 112.563 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.513 ' HE2' HD11 ' L' ' 32' ' ' ILE . 10.9 m-85 -121.17 128.27 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.23 107.22 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.27 32.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 28.2 mt-10 -110.53 149.26 30.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.043 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' J' ' 24' ' ' VAL . 4.2 t0 -137.14 116.91 13.07 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.405 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.98 15.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.27 -58.78 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.47 -0.871 . . . . 10.0 112.781 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.09 95.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.405 0.282 . . . . 10.0 110.671 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.55 149.62 25.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.973 0.416 . . . . 10.0 111.632 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.725 ' HD2' ' HA ' ' L' ' 28' ' ' LYS . 31.1 ttmt -133.51 -111.5 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.169 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -160.91 106.95 0.3 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.081 -1.057 . . . . 10.0 113.203 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.593 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.3 162.12 22.38 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.757 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.0 OUTLIER -117.83 87.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 179.517 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.533 HG22 HG12 ' L' ' 32' ' ' ILE . 25.9 pt -113.71 126.16 71.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 10.0 111.789 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.83 117.3 3.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 10.0 112.045 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.498 HD23 HD13 ' K' ' 17' ' ' LEU . 6.6 mp -108.64 102.23 11.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.82 0.343 . . . . 10.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.5 mpp? -121.82 87.98 2.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.323 0.582 . . . . 10.0 111.144 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' L' ' 36' ' ' VAL . 41.7 t -96.33 114.96 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.499 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.01 124.26 6.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.466 -0.873 . . . . 10.0 113.004 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.62 123.46 3.36 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.113 -0.565 . . . . 10.0 111.784 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' C' ' 31' ' ' ILE . 8.2 p -119.16 119.35 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.387 0.613 . . . . 10.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.618 -179.624 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' L' L ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' M' ' 11' ' ' GLU . 6.2 tp10 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.409 0.147 . . . . 10.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 p -156.58 140.73 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.58 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 13' ' ' HIS . . . . . 0.561 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 1.4 t60 -81.43 131.67 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.265 0.555 . . . . 10.0 111.989 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 14' ' ' HIS . . . . . 0.52 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 40.2 m-70 -132.61 86.99 2.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.598 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 15' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 19.9 pt20 -110.8 135.31 51.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.499 0.666 . . . . 10.0 112.554 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 38.8 ttpt -136.99 120.12 16.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.43 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.54 120.54 41.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.848 -0.614 . . . . 10.0 109.404 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.808 ' HB ' HG12 ' M' ' 18' ' ' VAL . 10.5 t -125.27 126.24 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.15 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 33.6 m-85 -119.79 125.64 49.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.181 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -106.65 121.93 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 101.06 6.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.55 80.85 1.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.51 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 23' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -77.05 112.72 14.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.981 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.04 -24.55 3.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.774 0.321 . . . . 10.0 110.888 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 25' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -90.96 -79.21 1.38 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.688 -0.768 . . . . 10.0 113.041 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 26' ' ' SER . . . . . 0.467 ' C ' HD22 ' M' ' 27' ' ' ASN . 58.9 m -153.66 101.33 2.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 110.594 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 27' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -51.29 149.07 4.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.995 -1.002 . . . . 10.0 113.282 -178.547 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 44.6 tttm -137.24 -86.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.289 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 29' ' ' GLY . . . . . 0.593 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 159.2 113.6 0.35 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.401 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -88.54 156.04 19.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' K' ' 31' ' ' ILE . 4.6 tp -112.13 102.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.562 0.696 . . . . 10.0 110.435 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.533 HG12 HG22 ' K' ' 32' ' ' ILE . 41.7 pt -128.99 142.45 44.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.436 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.21 124.24 5.41 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.958 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' K' ' 34' ' ' LEU . 2.5 mm? -104.41 90.67 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.544 ' HG2' ' HA2' ' D' ' 37' ' ' GLY . 3.2 mpp? -111.3 106.59 15.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 111.604 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.525 ' HB ' HG13 ' K' ' 36' ' ' VAL . 24.3 t -107.93 130.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.63 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.599 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -118.61 109.48 1.76 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.696 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.36 120.83 5.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.035 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.445 HG22 ' HA3' ' D' ' 33' ' ' GLY . 42.5 t -125.44 119.61 55.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.67 134.73 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 10.0 112.272 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.92 136.92 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.388 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.371 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' M' M ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' L' ' 11' ' ' GLU . 2.0 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.274 0.559 . . . . 10.0 110.477 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -72.24 148.2 9.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.399 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 13' ' ' HIS . . . . . 0.561 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 4.3 t60 -98.32 91.2 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.338 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.34 110.68 18.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.197 0.522 . . . . 10.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 15' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 47.0 tt0 -127.43 108.5 10.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.551 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -129.46 125.86 37.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.035 0.445 . . . . 10.0 111.391 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.709 HD22 HD23 ' M' ' 34' ' ' LEU . 4.3 mp -125.34 118.07 25.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.914 -0.773 . . . . 10.0 108.914 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.808 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.3 m -127.45 128.05 69.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.336 0.589 . . . . 10.0 112.106 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.56 121.17 37.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.652 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -102.32 119.04 38.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.689 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.41 102.88 7.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.467 . . . . 10.0 109.749 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -106.65 136.85 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.292 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.59 143.19 50.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.053 0.454 . . . . 10.0 111.08 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.95 4.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.503 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -129.78 -79.83 0.23 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.461 -0.876 . . . . 10.0 113.236 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 124.95 12.6 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 27' ' ' ASN . . . . . 0.467 HD22 ' C ' ' L' ' 26' ' ' SER . 4.7 m-80 -82.94 148.57 27.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.058 0.456 . . . . 10.0 111.557 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.921 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 65.2 mttt -132.29 -102.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.376 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 29' ' ' GLY . . . . . 0.528 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 179.37 114.41 0.42 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.938 -1.125 . . . . 10.0 113.024 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.482 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -85.09 156.32 21.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' N' ' 31' ' ' ILE . 1.2 mt -113.24 92.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.531 HG23 ' HB ' ' N' ' 32' ' ' ILE . 20.8 mt -118.2 125.38 74.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.02 110.5 2.1 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.984 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.709 HD23 HD22 ' M' ' 17' ' ' LEU . 7.0 mp -97.98 105.99 18.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' N' ' 35' ' ' MET . 0.0 OUTLIER -127.94 87.85 2.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.56 0.695 . . . . 10.0 111.124 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' N' ' 36' ' ' VAL . 3.6 m -105.02 129.7 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.249 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 37' ' ' GLY . . . . . 0.582 ' HA3' ' SD ' ' E' ' 35' ' ' MET . . . -130.71 145.43 16.81 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.921 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.21 124.12 1.97 Allowed Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 121.123 -0.56 . . . . 10.0 111.932 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -116.32 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.355 0.597 . . . . 10.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.854 -179.44 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' N' N ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' O' ' 11' ' ' GLU . 1.3 tp10 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.186 0.517 . . . . 10.0 109.896 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.822 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -89.17 111.09 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -84.07 126.68 33.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.657 0.265 . . . . 10.0 111.176 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -124.67 94.17 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -112.34 113.05 25.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 10.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -129.23 117.93 21.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.338 0.589 . . . . 10.0 112.027 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.52 115.61 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.072 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' O' ' 18' ' ' VAL . 6.7 t -121.19 118.65 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.981 0.419 . . . . 10.0 110.706 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -117.87 125.8 51.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.64 125.84 51.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.554 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 89.6 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.91 110.0 20.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.816 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 29.9 m-20 -112.52 119.48 38.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 10.0 110.868 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' O' ' 24' ' ' VAL . 18.3 m -101.07 3.29 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 25' ' ' GLY . . . . . 0.521 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -108.18 -84.53 1.64 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.558 -0.829 . . . . 10.0 111.782 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 84.5 p -149.31 101.85 3.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.48 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 1.5 m120 -60.65 138.82 58.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.261 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' O' ' 27' ' ' ASN . 0.3 OUTLIER -121.25 -67.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 138.66 119.93 1.77 Allowed Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.031 -1.081 . . . . 10.0 113.192 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.467 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' M' ' 31' ' ' ILE . 9.8 tt -113.42 112.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.562 0.696 . . . . 10.0 111.299 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.531 ' HB ' HG23 ' M' ' 32' ' ' ILE . 23.2 mt -120.65 125.53 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.471 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.14 116.82 4.21 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.269 -0.732 . . . . 10.0 111.269 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' M' ' 34' ' ' LEU . 2.6 mm? -105.58 94.97 5.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' M' ' 35' ' ' MET . 2.5 mpt? -115.11 92.21 3.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.119 0.485 . . . . 10.0 111.117 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' M' ' 36' ' ' VAL . 44.2 t -112.75 125.36 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.811 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -130.02 139.98 11.38 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.923 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.55 137.58 9.45 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 10.0 111.936 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.726 ' HB ' HG12 ' O' ' 39' ' ' VAL . 44.3 t -127.04 129.78 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.6 p -150.18 129.5 3.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.061 0.458 . . . . 10.0 111.982 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.455 HG23 HG12 ' G' ' 31' ' ' ILE . 6.5 pt -68.66 138.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.016 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.268 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' O' O ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' N' ' 11' ' ' GLU . 18.3 mm-40 . . . . . 0 C--O 1.235 0.308 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 12' ' ' VAL . . . . . 0.822 HG12 ' HB ' ' N' ' 12' ' ' VAL . 17.3 m -113.82 131.53 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -96.49 99.15 10.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -89.47 106.49 18.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.747 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -115.07 94.47 4.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' O' ' 16' ' ' LYS . 4.8 tmmm? -112.52 117.99 33.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.514 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.57 118.1 29.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.128 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' N' ' 18' ' ' VAL . 3.1 m -130.63 133.19 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.477 0.656 . . . . 10.0 112.699 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.04 120.88 30.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.778 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -102.99 112.08 24.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.01 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -123.13 123.62 41.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.08 134.45 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.639 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 23' ' ' ASP . . . . . 0.419 ' O ' HG22 ' N' ' 24' ' ' VAL . 5.4 t70 -113.69 140.62 48.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.556 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.547 ' HA ' HG22 ' N' ' 24' ' ' VAL . 92.4 t -120.86 -8.02 10.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 10.0 109.599 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 25' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -122.62 -69.76 0.24 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.291 -0.957 . . . . 10.0 113.537 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 59.4 m -156.7 104.78 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.519 0.2 . . . . 10.0 111.011 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.85 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.5 t-20 -57.84 143.84 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' P' ' 28' ' ' LYS . 54.6 tttp -124.83 -62.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.379 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 124.05 122.64 2.71 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.401 -0.904 . . . . 10.0 113.016 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' CA ' ' P' ' 29' ' ' GLY . . . -98.17 174.91 6.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.361 0.264 . . . . 10.0 110.761 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 31' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' P' ' 31' ' ' ILE . 15.2 mt -109.75 100.31 10.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 19.5 mt -112.33 117.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.52 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.37 121.04 4.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.024 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.91 104.66 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.917 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 4.3 mpp? -117.51 105.98 12.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.625 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' N' ' 36' ' ' VAL . 48.2 t -116.73 121.12 67.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 37' ' ' GLY . . . . . 0.694 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -131.45 118.23 2.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.18 137.35 9.3 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.6 -0.81 . . . . 10.0 112.583 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.726 HG12 ' HB ' ' N' ' 39' ' ' VAL . 33.0 m -122.6 136.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 10.0 110.63 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.966 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.238 0.466 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 12' ' ' VAL . . . . . 0.516 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -60.22 136.96 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.225 0.328 . . . . 10.0 110.791 179.316 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -62.56 128.18 34.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -120.86 113.94 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.056 -0.974 . . . . 10.0 108.857 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -117.82 125.85 51.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.244 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -132.73 112.38 11.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.359 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.52 HD23 ' HG ' ' P' ' 34' ' ' LEU . 7.2 mp -118.76 112.2 19.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.03 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -119.82 120.13 62.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.466 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.92 143.69 50.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.675 0.274 . . . . 10.0 110.898 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.52 126.13 48.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.501 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -131.88 84.29 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.359 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.47 165.11 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.727 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -150.75 147.36 27.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.117 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.1 t -128.16 2.78 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.778 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 25' ' ' GLY . . . . . 0.556 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -136.7 -56.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.436 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 62.4 m -157.83 107.46 2.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.777 0.323 . . . . 10.0 110.19 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.85 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 28.4 t-20 -54.68 139.5 38.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.853 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 28' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' P' ' 29' ' ' GLY . 30.9 tttp -119.95 -153.87 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 29' ' ' GLY . . . . . 0.56 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . -146.65 113.22 0.65 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.408 -0.677 . . . . 10.0 111.408 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 170.17 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.664 0.269 . . . . 10.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.458 HD13 ' HB ' ' O' ' 31' ' ' ILE . 1.7 mm -99.58 114.57 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.461 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.1 mt -129.11 110.4 20.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 33' ' ' GLY . . . . . 0.533 ' HA3' HG11 ' H' ' 39' ' ' VAL . . . -123.81 121.21 4.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.613 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' P' ' 17' ' ' LEU . 2.7 mm? -110.88 106.42 15.55 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mtm -113.24 108.98 18.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.378 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.59 128.55 71.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.442 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 37' ' ' GLY . . . . . 0.625 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -129.51 142.88 14.04 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.261 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.28 131.64 4.63 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.481 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.18 133.57 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.434 0.159 . . . . 10.0 111.259 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 8.7 p -173.85 162.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.333 -0.247 . . . . 10.0 110.333 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 pt -93.43 176.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.631 0.253 . . . . 10.0 110.477 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.455 -0.783 . . . . 10.0 110.552 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.623 ' HB2' HG11 ' B' ' 12' ' ' VAL . 4.3 mm-40 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.609 0.242 . . . . 10.0 110.411 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -108.41 147.52 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.781 0.324 . . . . 10.0 111.149 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.442 ' CE1' ' HB3' ' B' ' 13' ' ' HIS . 4.2 t60 -68.5 102.63 1.49 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.148 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 59.7 m170 -92.36 88.5 6.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.249 0.547 . . . . 10.0 111.28 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 6.6 tt0 -106.8 120.34 41.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.606 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -130.78 126.11 35.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 111.765 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -113.71 117.15 30.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.269 -1.011 . . . . 10.0 108.269 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -129.43 125.21 61.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -116.33 121.18 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.455 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -114.26 99.23 7.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.445 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.08 136.52 40.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.735 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.4 mm-40 -85.59 177.45 7.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.293 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' B' ' 27' ' ' ASN . 29.7 t70 -157.91 87.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.865 0.364 . . . . 10.0 111.321 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.794 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 26.0 t -122.56 -38.99 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.062 0.458 . . . . 10.0 110.307 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -93.07 -153.31 30.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 10.0 111.976 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.49 115.77 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 141.8 44.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 7.8 tttt -164.5 176.48 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.4 147.92 16.71 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.119 -1.039 . . . . 10.0 113.106 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.49 161.77 16.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.968 0.413 . . . . 10.0 110.848 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' B' ' 31' ' ' ILE . 12.7 mm -105.2 82.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 10.0 109.41 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.568 HG22 ' HB ' ' B' ' 32' ' ' ILE . 16.5 pt -103.09 133.05 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.358 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.16 99.89 0.86 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.14 97.83 11.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.606 0.241 . . . . 10.0 110.58 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.45 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.4 mpt? -129.47 74.26 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.282 0.563 . . . . 10.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' B' ' 36' ' ' VAL . 24.7 t -90.92 134.61 29.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.28 125.93 6.36 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.498 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.08 112.59 0.94 Allowed Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.426 -1.069 . . . . 10.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.44 123.48 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.452 0.644 . . . . 10.0 111.922 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' B' ' 40' ' ' VAL . 54.5 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.911 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.98 0.419 . . . . 10.0 110.448 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 11' ' ' GLU . 4.1 t -115.66 118.47 58.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.715 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . 0.442 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 4.3 t60 -85.4 118.65 25.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.959 0.409 . . . . 10.0 111.461 -178.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.439 ' ND1' ' HB2' ' A' ' 14' ' ' HIS . 27.7 m-70 -118.79 101.15 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.1 tt0 -117.91 127.6 54.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.972 0.415 . . . . 10.0 111.407 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -131.93 125.18 31.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.483 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 8.6 mp -112.67 111.6 22.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.708 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.8 t -116.17 121.69 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.01 113.17 18.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.666 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.2 122.22 42.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.84 113.68 13.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.742 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 32.6 mt-10 -87.51 159.26 18.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.948 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.6 m-20 -147.0 51.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.794 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 76.9 t -73.7 -26.49 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.432 . . . . 10.0 111.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.57 -65.18 1.36 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.197 -1.001 . . . . 10.0 111.82 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.522 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 p -167.27 120.64 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.527 HD21 ' HA ' ' A' ' 23' ' ' ASP . 1.2 m120 -62.57 146.74 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.353 0.408 . . . . 10.0 110.055 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.719 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 22.6 tptt -139.29 -75.71 0.36 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.189 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.686 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 145.25 98.75 0.25 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.714 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -84.73 153.82 22.82 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -98.97 117.12 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.615 0.722 . . . . 10.0 109.73 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.568 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.0 mt -131.66 115.91 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.746 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' J' ' 39' ' ' VAL . . . -105.1 120.07 6.41 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.278 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.37 91.42 3.64 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.473 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 2.5 mpt? -121.65 85.72 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.314 0.578 . . . . 10.0 111.357 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 36' ' ' VAL . 35.3 t -95.22 132.92 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.432 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -117.33 106.98 1.48 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.369 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 105.17 2.02 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.618 -0.993 . . . . 10.0 110.618 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 2.4 t -113.96 119.93 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.654 0.264 . . . . 10.0 110.928 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' A' ' 40' ' ' VAL . 49.1 t -129.48 129.71 67.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.701 ' HA ' HG13 ' J' ' 31' ' ' ILE . 0.5 OUTLIER -64.61 142.01 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 10.0 110.752 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.434 ' H ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.009 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.701 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.342 0.591 . . . . 10.0 111.191 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.531 HG12 ' HB ' ' B' ' 12' ' ' VAL . 27.2 m -89.82 127.5 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.688 . . . . 10.0 112.15 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -83.48 97.46 9.01 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . 0.414 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 1.7 m-70 -84.71 107.26 16.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.183 0.516 . . . . 10.0 111.884 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.42 102.88 9.26 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -114.95 121.06 41.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 10.0 111.957 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.483 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 49.4 mt -119.53 114.47 22.31 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' D' ' 18' ' ' VAL . 6.6 p -136.04 131.14 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.465 0.65 . . . . 10.0 112.543 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.455 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 11.3 m-85 -118.53 132.7 56.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.898 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -112.46 102.37 10.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.456 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.06 118.36 33.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.377 . . . . 10.0 110.082 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 35.1 mt-10 -107.52 159.21 16.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.69 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.1 t70 -152.76 119.76 5.8 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.982 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.0 m -135.42 20.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 108.729 -0.841 . . . . 10.0 108.729 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.3 -68.32 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.76 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.5 m -167.5 92.29 0.39 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.686 0.395 . . . . 10.0 110.327 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.419 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 48.4 t30 -57.58 148.53 23.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.266 0.555 . . . . 10.0 111.797 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' D' ' 28' ' ' LYS . 61.6 tttt -135.17 -118.67 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.831 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.753 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -152.78 101.01 0.21 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.945 -1.122 . . . . 10.0 113.93 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.809 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -72.62 158.32 35.88 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.698 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 mt -116.25 85.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.097 0.475 . . . . 10.0 110.037 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.881 HG22 ' HB ' ' D' ' 32' ' ' ILE . 16.7 pt -115.16 138.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.132 0.491 . . . . 10.0 112.265 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.9 122.05 3.08 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.355 -0.698 . . . . 10.0 111.355 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.5 mp -111.12 101.18 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.848 0.356 . . . . 10.0 110.675 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.473 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.7 mpp? -119.73 93.84 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.706 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB ' ' D' ' 36' ' ' VAL . 39.8 t -103.72 115.87 46.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.653 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' HE2' ' K' ' 35' ' ' MET . . . -112.16 127.34 8.02 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.738 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.02 127.42 3.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.629 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' K' ' 31' ' ' ILE . 7.6 p -127.4 120.33 54.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.425 0.631 . . . . 10.0 111.683 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.301 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.747 0.308 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.701 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 6.4 p -133.66 131.93 57.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -91.73 129.83 37.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 98.9 m-70 -132.91 94.95 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.064 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 29.4 pt20 -117.8 139.38 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.363 0.602 . . . . 10.0 112.507 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -138.65 129.28 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.914 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' E' ' 17' ' ' LEU . 8.4 mp -116.41 115.58 26.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.707 -0.678 . . . . 10.0 109.25 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' E' ' 18' ' ' VAL . 4.8 t -123.07 119.13 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 35.9 m-85 -116.63 123.48 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.665 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -104.54 127.75 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.196 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.12 103.24 5.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -104.57 88.08 2.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.172 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.64 ' HA ' HD21 ' E' ' 27' ' ' ASN . 0.7 OUTLIER -80.62 116.18 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.065 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.531 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.6 t -115.54 -27.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 10.0 111.276 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.91 -84.2 1.21 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -148.49 104.35 3.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.69 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.6 OUTLIER -54.75 151.38 8.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.914 -179.052 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.827 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 47.4 tttm -138.64 -90.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.282 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.809 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . 170.83 110.54 0.24 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.452 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -97.87 151.3 20.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.397 0.141 . . . . 10.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.712 HG13 HD13 ' L' ' 41' ' ' ILE . 6.0 mm -96.18 111.64 26.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.876 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.881 ' HB ' HG22 ' C' ' 32' ' ' ILE . 64.9 mt -129.77 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.267 -0.424 . . . . 10.0 109.949 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.439 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.1 117.52 5.6 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.692 -0.766 . . . . 10.0 112.215 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.3 mm? -104.67 98.88 8.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.571 ' HG2' ' CA ' ' L' ' 37' ' ' GLY . 2.2 mpp? -115.43 98.05 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.293 0.568 . . . . 10.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.7 ' HB ' HG13 ' C' ' 36' ' ' VAL . 35.9 t -105.87 128.06 60.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.372 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.581 ' CA ' ' HG2' ' L' ' 35' ' ' MET . . . -129.39 119.29 2.88 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.528 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 129.66 5.42 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.393 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.501 ' CG2' HG23 ' E' ' 39' ' ' VAL . 3.7 m -128.01 143.08 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' E' ' 40' ' ' VAL . 13.7 p -154.25 145.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.755 HD13 HG13 ' L' ' 31' ' ' ILE . 25.9 mm -65.74 131.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.489 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.047 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' F' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.985 0.898 . . . . 10.0 109.225 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.432 HG12 ' CG1' ' D' ' 12' ' ' VAL . 18.5 m -76.14 124.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.602 -1.181 . . . . 10.0 112.835 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -87.25 92.12 8.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.49 107.17 18.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.235 0.541 . . . . 10.0 111.479 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.9 tt0 -118.76 118.19 30.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.286 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -131.32 127.68 38.16 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.086 0.469 . . . . 10.0 111.466 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.447 ' HB2' ' HG ' ' D' ' 17' ' ' LEU . 25.5 mt -121.75 111.8 17.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.528 -0.915 . . . . 10.0 108.528 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.1 m -125.79 129.94 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.276 0.56 . . . . 10.0 112.445 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -123.9 127.94 48.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.785 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -109.82 107.81 17.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.148 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.02 15.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.69 140.78 41.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.966 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.4 OUTLIER -134.38 142.81 47.3 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.801 178.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.475 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.2 t -141.91 13.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.372 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -63.43 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.058 -1.068 . . . . 10.0 114.205 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.1 p -164.13 115.75 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.183 0.492 . . . . 10.0 110.477 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' D' ' 23' ' ' ASP . 4.1 m120 -76.96 157.04 31.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 10.0 111.591 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.827 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.9 tttm -138.78 -100.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -178.03 111.17 0.32 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.107 -1.044 . . . . 10.0 113.115 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.547 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -85.75 168.2 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.654 HG12 HD11 ' L' ' 41' ' ' ILE . 0.4 OUTLIER -121.88 89.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.14 123.72 68.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.148 0.499 . . . . 10.0 111.245 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 110.21 1.41 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.534 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.68 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.9 mp -102.19 105.29 15.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.918 0.389 . . . . 10.0 110.301 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.759 ' HG3' ' HA3' ' M' ' 37' ' ' GLY . 5.3 mmt -116.4 94.64 4.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.01 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' F' ' 36' ' ' VAL . 1.5 m -111.0 120.72 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -126.89 140.24 11.79 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.584 -0.817 . . . . 10.0 113.003 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.22 122.56 2.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.946 -0.645 . . . . 10.0 111.708 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.2 p -111.35 109.9 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.41 0.624 . . . . 10.0 110.624 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' F' ' 42' ' ' ALA . 21.4 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.945 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 11' ' ' GLU . . . . . 0.428 ' HB3' ' HG3' ' E' ' 11' ' ' GLU . 1.2 tp10 . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.297 0.57 . . . . 10.0 110.51 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 1.006 ' HB ' HG12 ' G' ' 12' ' ' VAL . 4.8 t -116.84 88.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -73.09 123.89 24.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.101 0.477 . . . . 10.0 111.477 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.482 ' CD2' HG12 ' F' ' 12' ' ' VAL . 6.4 m-70 -124.82 97.95 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.691 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.0 tt0 -110.06 122.22 47.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.791 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -133.79 120.1 20.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.332 0.587 . . . . 10.0 112.035 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -112.47 121.47 44.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 10.0 109.447 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' G' ' 18' ' ' VAL . 11.6 t -125.25 118.52 52.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.549 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -118.23 127.72 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.32 128.47 55.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.0 93.61 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -101.5 95.94 6.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.57 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 20.2 m-20 -101.22 101.19 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.518 HG22 ' O ' ' G' ' 23' ' ' ASP . 12.4 m -98.38 8.08 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.23 -86.31 0.95 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.021 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -136.34 102.43 4.97 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.57 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.5 m120 -63.94 152.0 41.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.108 0.48 . . . . 10.0 111.26 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -138.14 -75.42 0.39 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 140.56 119.44 1.6 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.01 -1.091 . . . . 10.0 113.395 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.55 163.99 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.566 HG12 HG13 ' N' ' 39' ' ' VAL . 13.7 tt -109.03 114.42 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.648 0.737 . . . . 10.0 110.794 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -119.44 116.71 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.843 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.466 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -108.41 107.94 2.59 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.246 -0.741 . . . . 10.0 111.246 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.68 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.0 mm? -100.24 101.42 12.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 3.5 mpp? -117.16 96.41 5.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.124 0.488 . . . . 10.0 110.585 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG12 ' E' ' 36' ' ' VAL . 32.4 t -117.37 129.35 74.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.055 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.908 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -141.5 151.64 22.82 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.687 -0.768 . . . . 10.0 112.925 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 143.11 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.592 HG13 HG12 ' N' ' 31' ' ' ILE . 23.2 t -125.12 124.53 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.3 125.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -70.88 104.11 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.615 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 42' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.811 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.422 0.63 . . . . 10.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 1.006 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.9 m -113.82 130.59 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.189 -0.914 . . . . 10.0 112.989 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -95.05 97.53 10.02 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.561 ' HB2' ' ND1' ' H' ' 14' ' ' HIS . 2.3 m-70 -86.59 120.42 27.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.469 . . . . 10.0 112.046 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.544 HE22 HG11 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -122.42 99.68 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -114.9 120.75 41.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 10.0 111.545 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.832 HD13 HD21 ' G' ' 34' ' ' LEU . 3.9 mt -124.43 115.75 21.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.221 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -128.17 132.59 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -125.63 123.65 39.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.044 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.14 110.26 21.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.779 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.83 120.64 39.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -126.83 129.35 48.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' F' ' 24' ' ' VAL . 7.1 t70 -117.65 129.01 55.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.236 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 18.2 t -116.69 3.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.195 0.522 . . . . 10.0 110.239 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -135.7 -70.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.621 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -155.46 101.91 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.021 -0.362 . . . . 10.0 110.021 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.891 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 47.8 t-20 -68.88 148.82 49.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 10.0 110.953 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 37.4 tttp -121.12 -83.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.983 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.61 110.61 0.23 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.865 -1.16 . . . . 10.0 113.417 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.17 160.71 18.41 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.515 -0.18 . . . . 10.0 110.515 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 45.0 mt -104.9 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -106.83 113.59 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.459 . . . . 10.0 110.637 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.64 112.27 2.41 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.832 HD21 HD13 ' G' ' 17' ' ' LEU . 30.4 tp -113.4 106.92 15.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.81 0.338 . . . . 10.0 110.314 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.995 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.5 mpt? -117.38 102.34 9.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.277 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.544 HG11 HE22 ' G' ' 15' ' ' GLN . 40.7 t -118.38 121.73 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.142 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.618 ' O ' ' HA2' ' H' ' 37' ' ' GLY . . . -142.81 145.28 15.17 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.944 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.19 148.43 18.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.323 -0.942 . . . . 10.0 112.628 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' H' ' 39' ' ' VAL . 20.9 m -119.23 147.11 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.72 0.295 . . . . 10.0 110.325 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.83 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.407 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.433 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -70.82 128.59 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.885 0.374 . . . . 10.0 110.552 179.419 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.69 132.31 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 14' ' ' HIS . . . . . 0.561 ' ND1' ' HB2' ' G' ' 14' ' ' HIS . 90.3 m-70 -116.55 115.78 26.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.447 -0.945 . . . . 10.0 108.447 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -112.5 120.55 42.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.781 0.324 . . . . 10.0 110.416 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -131.99 108.94 9.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.792 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD23 ' G' ' 17' ' ' LEU . 61.8 mt -116.32 116.83 28.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.278 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 t -119.55 121.21 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.43 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -123.32 134.38 54.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.857 0.36 . . . . 10.0 111.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -113.45 129.31 56.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.081 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -144.09 84.3 1.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.454 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 156.02 28.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.945 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 148.46 37.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 2.2 m -125.08 40.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.249 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.455 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -163.48 -70.44 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.259 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -146.79 86.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.868 0.366 . . . . 10.0 110.117 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.891 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -54.33 126.68 24.14 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.11 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 28.9 tttt -105.31 -77.61 0.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.812 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.76 125.79 2.87 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.305 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.88 177.79 4.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.935 0.398 . . . . 10.0 111.192 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.32 115.08 34.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.4 mt -120.59 101.27 10.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.76 112.59 3.01 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.101 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -116.09 101.94 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.872 0.368 . . . . 10.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.591 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.5 mpp? -106.92 99.88 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.84 130.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.981 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -141.55 146.0 16.83 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.751 -0.738 . . . . 10.0 112.558 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.83 144.41 15.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.118 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' G' ' 39' ' ' VAL . 6.4 m -128.56 131.77 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.555 -0.165 . . . . 10.0 110.555 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -166.08 162.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.297 -0.26 . . . . 10.0 110.297 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 pt -90.5 172.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.805 -0.442 . . . . 10.0 109.805 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.42 -0.8 . . . . 10.0 110.637 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.727 ' HB2' HG21 ' J' ' 12' ' ' VAL . 1.9 mm-40 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.851 0.358 . . . . 10.0 110.235 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -101.67 158.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.98 -0.554 . . . . 10.0 111.262 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -72.82 97.86 2.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.376 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -87.09 88.52 7.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 10.0 111.115 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' J' ' 15' ' ' GLN . 10.2 tt0 -108.8 117.74 34.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.167 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -127.24 127.86 45.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.153 0.502 . . . . 10.0 112.207 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.11 110.24 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -123.4 126.74 73.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.297 0.57 . . . . 10.0 112.473 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -118.48 119.83 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.932 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -112.85 111.92 23.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.716 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.67 135.31 54.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.294 -0.412 . . . . 10.0 109.948 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 23.5 mm-40 -84.04 175.05 9.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.976 0.417 . . . . 10.0 111.82 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -153.51 82.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.7 t -116.36 -39.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.027 0.441 . . . . 10.0 110.454 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -91.66 -154.47 30.77 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.742 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.84 123.89 20.1 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.26 144.71 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.513 0.561 . . . . 10.0 112.513 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.684 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.7 tttm -167.64 167.88 13.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.246 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.26 144.61 18.34 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.377 -0.916 . . . . 10.0 113.693 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.751 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -87.63 158.81 18.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.744 -0.228 . . . . 10.0 110.414 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.535 ' HB ' HG12 ' J' ' 31' ' ' ILE . 12.4 mm -103.15 90.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 10.0 109.748 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 12.4 pt -109.5 128.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.736 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.67 100.6 1.13 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.316 -0.713 . . . . 10.0 111.316 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.44 94.63 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.749 0.309 . . . . 10.0 111.205 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.421 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.5 mpt? -127.87 75.7 1.63 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.264 0.555 . . . . 10.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' J' ' 36' ' ' VAL . 18.4 t -93.26 129.34 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.99 131.01 9.22 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.862 -0.685 . . . . 10.0 112.572 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.59 106.1 0.39 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.91 126.5 71.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.327 0.584 . . . . 10.0 111.625 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' J' ' 40' ' ' VAL . 60.4 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.13 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.967 0.413 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' I' ' 11' ' ' GLU . 43.3 t -125.03 122.92 64.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.637 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -85.42 121.78 28.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.833 0.349 . . . . 10.0 111.901 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -120.91 91.62 3.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.539 ' O ' ' HA ' ' I' ' 15' ' ' GLN . 10.3 tt0 -110.73 126.86 55.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 10.0 111.531 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -131.41 124.25 29.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' K' ' 17' ' ' LEU . 8.8 mp -111.36 113.98 26.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.599 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.3 t -118.78 121.56 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.093 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.83 117.44 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.802 0.334 . . . . 10.0 111.595 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.41 121.9 44.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.53 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.72 117.74 19.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.9 mt-10 -89.12 158.57 17.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.326 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.471 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 9.2 m-20 -147.9 49.33 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.203 -0.665 . . . . 10.0 109.203 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.878 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 91.4 t -73.62 -28.26 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 10.0 111.189 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.42 -64.79 1.49 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.165 -1.017 . . . . 10.0 111.618 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.581 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.5 p -167.56 122.03 1.0 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 1.5 m120 -62.78 145.79 54.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.684 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 19.3 tptt -137.15 -83.54 0.34 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.709 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.751 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 155.39 91.98 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.2 -1.0 . . . . 10.0 112.556 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.766 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -77.94 148.77 34.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.701 HG13 ' HA ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -96.29 117.3 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.593 0.711 . . . . 10.0 109.892 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 33.1 mt -130.74 116.17 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.563 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -106.14 120.33 6.32 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.422 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.29 90.04 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.51 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 2.7 mpt? -120.67 85.3 2.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.467 0.651 . . . . 10.0 111.382 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' I' ' 36' ' ' VAL . 39.0 t -94.77 133.26 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.189 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.51 105.81 1.24 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.785 -0.722 . . . . 10.0 113.146 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 107.28 2.36 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' K' ' 39' ' ' VAL . 2.7 t -115.73 122.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.715 0.293 . . . . 10.0 110.854 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' I' ' 40' ' ' VAL . 48.0 t -131.13 130.0 63.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.645 ' HA ' HG13 ' B' ' 31' ' ' ILE . 0.5 OUTLIER -65.23 143.93 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 120.941 0.4 . . . . 10.0 110.835 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 42' ' ' ALA . . . . . 0.466 ' H ' HD13 ' J' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.702 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.391 0.615 . . . . 10.0 110.729 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' J' ' 12' ' ' VAL . 12.2 m -86.89 121.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.39 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -79.09 100.93 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.456 -0.942 . . . . 10.0 108.456 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 14' ' ' HIS . . . . . 0.417 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 6.0 m170 -87.3 114.7 24.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.325 0.583 . . . . 10.0 111.612 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 4.4 tt0 -125.16 102.27 7.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.207 -0.906 . . . . 10.0 108.78 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -114.96 121.65 43.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.027 0.441 . . . . 10.0 112.077 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 17' ' ' LEU . . . . . 0.541 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 49.3 mt -120.05 111.8 18.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.584 HG13 HG13 ' L' ' 18' ' ' VAL . 6.7 p -133.95 131.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 12.0 m-85 -121.05 131.84 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.122 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.69 104.71 12.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.115 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.9 113.03 24.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.787 0.327 . . . . 10.0 110.178 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.598 ' HB2' ' HA ' ' L' ' 22' ' ' GLU . 50.5 mt-10 -97.31 161.59 13.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.937 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.603 ' HB2' HD21 ' L' ' 27' ' ' ASN . 4.5 t70 -158.26 116.1 2.97 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.327 179.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' J' ' 24' ' ' VAL . 10.5 m -133.16 13.7 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.6 -66.16 0.21 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.009 -0.996 . . . . 10.0 112.04 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.4 p -175.53 87.26 0.04 OUTLIER 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.362 0.265 . . . . 10.0 110.669 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 27' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 57.3 t30 -51.76 142.62 14.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.236 0.541 . . . . 10.0 112.256 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 75.9 tttt -128.51 -112.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.779 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.766 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -156.8 101.87 0.21 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.879 -1.153 . . . . 10.0 113.482 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.712 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -72.73 157.44 37.5 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.2 mt -116.13 85.49 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.826 HG22 ' HB ' ' L' ' 32' ' ' ILE . 20.3 pt -114.85 137.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 10.0 112.364 -178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.05 121.16 3.12 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 34' ' ' LEU . . . . . 0.503 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -110.98 100.19 8.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 10.0 110.428 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.51 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.6 mpp? -120.26 93.0 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.923 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.724 HG13 ' HB ' ' L' ' 36' ' ' VAL . 38.8 t -101.57 118.94 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.638 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.11 126.13 7.05 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.622 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.45 129.14 4.41 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.564 -0.615 . . . . 10.0 111.564 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' C' ' 31' ' ' ILE . 7.2 p -128.4 122.79 58.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.479 0.657 . . . . 10.0 111.652 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.453 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.34 0.114 . . . . 10.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.702 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 7.0 p -104.61 135.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.694 0.283 . . . . 10.0 111.255 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -92.99 132.27 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.023 0.439 . . . . 10.0 111.622 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 14' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 95.6 m-70 -133.95 92.73 2.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.418 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 15' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 27.8 pt20 -116.08 137.03 52.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.587 . . . . 10.0 112.448 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' L' ' 16' ' ' LYS . 36.4 ttpt -137.98 127.36 24.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.898 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.2 mp -114.77 117.62 31.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.358 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.77 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.8 t -124.27 119.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.704 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 19' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 34.9 m-85 -117.77 120.12 36.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.766 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.38 97.36 3.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 22' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' K' ' 22' ' ' GLU . 1.9 pt-20 -104.4 96.59 6.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.276 0.56 . . . . 10.0 112.034 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 124.1 31.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.809 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.44 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 85.8 t -119.96 -30.15 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.776 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.71 -76.24 1.23 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.336 -0.935 . . . . 10.0 113.172 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 26' ' ' SER . . . . . 0.491 ' C ' HD22 ' M' ' 27' ' ' ASN . 61.0 m -154.45 101.01 2.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 27' ' ' ASN . . . . . 0.603 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -52.79 148.87 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.007 0.817 . . . . 10.0 112.175 -178.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.964 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 20.0 tttm -137.31 -86.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.069 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 29' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 164.13 113.67 0.29 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.093 -1.051 . . . . 10.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.428 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -97.82 154.78 17.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.398 0.142 . . . . 10.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.755 HG13 HD13 ' D' ' 41' ' ' ILE . 6.1 mm -98.72 110.0 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.826 ' HB ' HG22 ' K' ' 32' ' ' ILE . 47.7 mt -128.62 109.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.15 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 33' ' ' GLY . . . . . 0.495 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -106.6 117.61 5.42 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.068 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 34' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.5 mm? -105.53 98.09 7.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.581 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 2.2 mpp? -115.39 98.71 6.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.348 0.594 . . . . 10.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.724 ' HB ' HG13 ' K' ' 36' ' ' VAL . 29.2 t -104.64 128.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.571 ' CA ' ' HG2' ' D' ' 35' ' ' MET . . . -127.43 121.63 3.92 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.288 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.52 127.72 4.05 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.35 -0.929 . . . . 10.0 112.745 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' M' ' 39' ' ' VAL . 2.9 m -128.38 142.44 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -151.73 143.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.878 0.371 . . . . 10.0 111.367 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' L' L ' 41' ' ' ILE . . . . . 0.712 HD13 HG13 ' D' ' 31' ' ' ILE . 34.0 mm -67.38 128.95 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.517 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.255 179.635 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' M' M ' 11' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' N' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.767 0.794 . . . . 10.0 109.656 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.28 124.14 32.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.911 -1.041 . . . . 10.0 112.006 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -86.17 89.27 7.78 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -86.02 113.42 22.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.618 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 15' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 16.2 tt0 -126.48 122.4 35.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.204 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -135.71 128.88 31.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.865 0.364 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 25.2 mt -122.3 110.68 15.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.31 -0.996 . . . . 10.0 108.31 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.77 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.1 m -124.07 128.34 73.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -122.56 124.97 44.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.686 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -106.93 105.52 15.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.215 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.29 111.57 22.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.903 0.382 . . . . 10.0 109.97 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 22' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' L' ' 22' ' ' GLU . 34.8 mt-10 -112.36 138.61 48.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.988 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.83 143.15 49.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.853 0.359 . . . . 10.0 110.475 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -142.39 13.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.2 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -141.6 -64.13 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.036 -1.078 . . . . 10.0 114.59 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.83 122.26 3.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.246 0.523 . . . . 10.0 110.331 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 27' ' ' ASN . . . . . 0.491 HD22 ' C ' ' L' ' 26' ' ' SER . 4.9 m-80 -85.64 147.9 26.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.073 0.464 . . . . 10.0 111.533 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.964 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 13.3 mttm -130.92 -96.02 0.36 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.177 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 29' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 171.94 113.25 0.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.707 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -84.11 165.12 18.75 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.695 HG12 HD11 ' D' ' 41' ' ' ILE . 0.6 OUTLIER -116.05 92.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.411 HG23 ' HB ' ' N' ' 32' ' ' ILE . 9.1 mt -113.78 125.22 71.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 10.0 111.187 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.73 110.09 1.33 Allowed Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.974 -0.632 . . . . 10.0 111.561 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.697 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.1 mp -101.87 105.13 15.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.838 0.351 . . . . 10.0 110.208 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.2 mmt -117.45 95.67 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.905 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.63 HG12 ' HB ' ' N' ' 36' ' ' VAL . 1.8 m -111.83 124.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.591 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 37' ' ' GLY . . . . . 0.759 ' HA3' ' HG3' ' E' ' 35' ' ' MET . . . -131.62 133.19 7.07 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.217 -0.992 . . . . 10.0 113.194 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.49 123.19 3.3 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.983 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.538 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.5 p -111.86 111.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.262 0.553 . . . . 10.0 110.522 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.451 HG12 ' HB2' ' N' ' 42' ' ' ALA . 20.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.99 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -108.89 92.97 2.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -77.45 125.01 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 10.0 111.865 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -121.92 97.47 5.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.816 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 15' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' M' ' 15' ' ' GLN . 17.3 tt0 -108.99 119.4 39.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.799 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 16' ' ' LYS . . . . . 0.591 ' HG3' ' HG2' ' O' ' 16' ' ' LYS . 16.9 ptmt -135.4 121.75 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.43 0.633 . . . . 10.0 112.153 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.7 mp -113.41 120.6 41.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.445 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.933 ' HB ' HG12 ' O' ' 18' ' ' VAL . 10.7 t -122.21 116.66 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.335 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -116.87 127.01 53.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.638 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -109.21 127.56 54.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.14 89.19 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.31 104.46 14.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 23' ' ' ASP . . . . . 0.575 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 32.1 m-20 -108.25 111.84 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.187 0.517 . . . . 10.0 110.273 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' O' ' 24' ' ' VAL . 19.8 m -100.1 11.83 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -120.22 -89.52 1.14 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.231 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.05 97.78 3.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 1.3 m120 -62.58 140.56 58.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.446 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 0.1 OUTLIER -125.18 -72.95 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.384 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 140.04 118.43 1.53 Allowed Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.907 -1.139 . . . . 10.0 113.682 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -94.01 165.96 12.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.592 HG12 HG13 ' F' ' 39' ' ' VAL . 11.9 tt -110.59 117.98 56.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.563 0.697 . . . . 10.0 110.726 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.45 HG12 HD12 ' O' ' 32' ' ' ILE . 15.9 mt -122.05 117.35 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.817 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -108.62 109.33 2.82 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.113 -0.795 . . . . 10.0 111.113 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.697 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -100.74 101.07 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.908 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 3.4 mpp? -116.35 97.33 5.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.031 0.443 . . . . 10.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 36' ' ' VAL . . . . . 0.63 ' HB ' HG12 ' M' ' 36' ' ' VAL . 39.7 t -116.36 130.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.734 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.04 144.72 14.99 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.506 -0.854 . . . . 10.0 113.139 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.61 142.04 12.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.124 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.566 HG13 HG12 ' F' ' 31' ' ' ILE . 32.6 t -126.37 123.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' M' ' 40' ' ' VAL . 3.1 p -143.07 124.87 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -70.58 108.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.347 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' N' N ' 42' ' ' ALA . . . . . 0.451 ' HB2' HG12 ' M' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.733 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 11' ' ' GLU . . . . . 0.441 ' HB3' HG13 ' P' ' 12' ' ' VAL . 15.3 mt-10 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.969 0.414 . . . . 10.0 111.415 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 12' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' N' ' 12' ' ' VAL . 19.4 m -111.05 127.69 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -94.53 101.38 13.27 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -89.4 120.58 30.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -120.67 94.3 4.32 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 16' ' ' LYS . . . . . 0.591 ' HG2' ' HG3' ' N' ' 16' ' ' LYS . 1.1 tmmm? -110.96 115.58 29.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.219 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 17' ' ' LEU . . . . . 0.836 HD13 HD21 ' O' ' 34' ' ' LEU . 4.7 mt -121.6 119.05 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.933 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.3 m -130.71 132.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 19' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' P' ' 32' ' ' ILE . 30.8 m-85 -125.78 124.44 40.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.143 -0.935 . . . . 10.0 108.886 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -110.72 110.73 21.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 119.38 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' P' ' 22' ' ' GLU . 32.5 mt-10 -124.38 129.44 50.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.894 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.03 127.19 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 10.0 110.662 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' N' ' 24' ' ' VAL . 5.9 t -118.86 10.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.296 0.57 . . . . 10.0 109.719 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.44 -71.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.129 -1.034 . . . . 10.0 112.99 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -158.36 109.67 2.19 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.689 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.4 t-20 -66.68 149.34 50.66 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.392 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 63.5 tttp -126.43 -78.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.969 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 158.34 106.32 0.23 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.673 -1.251 . . . . 10.0 113.544 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 162.48 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -107.95 96.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 32' ' ' ILE . . . . . 0.45 HD12 HG12 ' N' ' 32' ' ' ILE . 64.0 mt -105.08 114.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.626 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.54 104.35 0.98 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.305 -0.718 . . . . 10.0 111.305 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 34' ' ' LEU . . . . . 0.836 HD21 HD13 ' O' ' 17' ' ' LEU . 39.4 tp -107.48 113.1 26.22 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.496 ' HG3' ' HG3' ' P' ' 35' ' ' MET . 1.3 ptp -128.69 108.19 10.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.281 0.562 . . . . 10.0 110.998 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -120.98 123.58 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.237 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 37' ' ' GLY . . . . . 0.995 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -141.17 132.68 5.46 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.833 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.27 147.76 19.32 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.746 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' N' ' 39' ' ' VAL . 26.5 m -118.52 142.02 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 10.0 110.497 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.821 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.703 0.287 . . . . 10.0 110.64 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 12' ' ' VAL . . . . . 0.549 HG21 ' N ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -67.04 140.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.624 -0.509 . . . . 10.0 109.624 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -68.54 131.23 44.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -115.15 105.56 13.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -104.58 122.19 45.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.088 0.471 . . . . 10.0 110.849 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -134.36 112.52 11.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD23 ' O' ' 17' ' ' LEU . 6.9 mp -118.79 122.83 43.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.08 124.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.292 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -128.18 131.74 48.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.857 0.36 . . . . 10.0 111.127 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -110.72 129.79 55.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.405 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.72 78.11 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' HB2' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -109.91 158.35 18.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.766 -178.574 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -149.5 151.0 33.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.1 OUTLIER -127.59 29.79 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.524 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.25 -60.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.805 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -151.23 94.04 1.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.689 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 0.2 OUTLIER -60.9 123.27 17.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.783 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' P' P ' 28' ' ' LYS . . . . . 0.519 ' N ' HD22 ' P' ' 27' ' ' ASN . 36.4 tttp -101.08 -83.22 0.45 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.648 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.31 112.02 1.56 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.575 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 179.97 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.844 0.354 . . . . 10.0 111.165 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pt -98.26 113.02 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 32' ' ' ILE . . . . . 0.531 HG21 ' HE2' ' O' ' 19' ' ' PHE . 41.6 mt -117.46 102.19 13.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.996 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 120.56 5.02 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.079 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.45 107.55 13.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 10.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.981 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mpt? -108.05 98.93 8.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.066 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -108.63 126.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.366 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -135.26 154.24 21.55 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.86 139.01 6.95 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.164 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -127.42 138.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -175.8 166.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.121 -0.325 . . . . 10.0 110.121 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 14.5 pt -95.79 -178.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 10.0 110.388 -179.683 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.472 ' HB3' HG13 ' B' ' 12' ' ' VAL . 6.9 mm-40 . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.031 0.444 . . . . 10.0 110.77 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -99.25 174.0 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 -177.221 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.467 ' H ' HG12 ' A' ' 12' ' ' VAL . 3.0 t-160 -102.71 114.87 29.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.273 -1.33 . . . . 10.0 108.568 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -94.08 87.09 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -103.13 117.46 34.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.725 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -138.59 131.03 28.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.972 0.415 . . . . 10.0 111.67 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.84 109.96 14.84 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -119.75 123.73 71.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.313 0.578 . . . . 10.0 112.457 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -114.55 117.95 32.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.6 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -111.25 107.33 16.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.801 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -108.21 128.95 55.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.883 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 3.1 mm-40 -75.99 173.51 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.384 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -152.9 84.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.802 0.334 . . . . 10.0 111.47 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.867 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 44.5 t -122.89 -37.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.697 0.284 . . . . 10.0 111.011 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.561 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -91.72 -155.63 31.95 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.163 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 p -70.28 128.12 35.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.383 -0.229 . . . . 10.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -58.88 151.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 25.3 tptt -160.02 -144.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.422 -0.808 . . . . 10.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.22 128.65 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.331 -0.938 . . . . 10.0 113.138 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.65 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -83.35 157.27 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.588 0.233 . . . . 10.0 110.597 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.632 ' HB ' HD13 ' B' ' 31' ' ' ILE . 31.7 mm -106.55 90.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' B' ' 32' ' ' ILE . 19.5 pt -105.82 136.75 38.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.623 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.11 95.71 0.58 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 93.67 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.024 0.44 . . . . 10.0 110.822 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.9 mpt? -124.29 77.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.173 0.511 . . . . 10.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.47 119.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.667 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.7 107.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.56 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -135.86 116.32 1.47 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.354 -0.699 . . . . 10.0 111.354 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.36 137.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 10.0 111.221 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' HB ' ' B' ' 40' ' ' VAL . 60.2 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 121.247 0.546 . . . . 10.0 110.222 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.66 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -116.51 90.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 178.618 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -72.49 118.97 16.05 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.655 0.264 . . . . 10.0 111.032 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -117.56 89.23 3.07 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -114.53 112.77 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.146 0.498 . . . . 10.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -124.13 123.66 40.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.762 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -105.94 111.55 24.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.247 -0.888 . . . . 10.0 108.98 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.1 t -114.76 120.54 64.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.02 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.54 117.26 25.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.883 0.373 . . . . 10.0 111.384 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -104.06 118.95 37.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.948 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -127.45 109.62 11.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.883 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 73.9 mt-10 -90.67 152.54 20.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.68 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 13.5 m-20 -141.99 61.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.867 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 46.5 t -80.43 -20.83 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.071 0.462 . . . . 10.0 111.05 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.2 -61.91 1.02 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 10.0 111.783 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.561 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 77.9 p -165.35 120.39 1.3 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.68 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -64.1 148.98 48.61 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.797 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -143.48 -99.19 0.12 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.874 -0.33 . . . . 10.0 111.812 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 172.78 107.15 0.2 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.664 -1.255 . . . . 10.0 113.092 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' CA ' ' C' ' 29' ' ' GLY . . . -89.95 156.7 18.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.637 0.256 . . . . 10.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.81 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.1 mm -99.37 100.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.655 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -114.3 106.1 20.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.787 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.53 114.58 5.05 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.873 -0.679 . . . . 10.0 111.922 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -111.67 91.74 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HA ' ' C' ' 35' ' ' MET . 1.4 mpt? -121.67 90.41 3.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.378 0.609 . . . . 10.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' C' ' 36' ' ' VAL . 43.7 t -101.77 128.35 54.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.457 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.48 118.86 4.08 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.02 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -140.76 113.78 0.89 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.255 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' C' ' 39' ' ' VAL . 35.2 m -124.37 139.25 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.077 0.465 . . . . 10.0 110.729 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 40' ' ' VAL . 46.3 t -125.51 136.83 59.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.153 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ILE . . . . . 0.781 ' HA ' HG13 ' J' ' 31' ' ' ILE . 18.1 tt -64.1 131.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.011 0.434 . . . . 10.0 111.129 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.613 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.613 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.289 0 CA-C-O 121.25 0.547 . . . . 10.0 111.319 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.66 HG12 ' HB ' ' B' ' 12' ' ' VAL . 10.9 m -98.26 120.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.688 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -87.32 96.79 10.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -86.15 110.29 19.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.157 0.503 . . . . 10.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -126.21 93.36 3.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.121 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -105.37 120.6 41.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.842 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.7 mt -116.77 111.97 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.535 HG13 HG13 ' D' ' 18' ' ' VAL . 7.5 p -134.91 132.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -121.2 130.51 53.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.423 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -112.12 99.04 7.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.193 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.0 124.44 49.59 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 66.8 mt-10 -116.82 150.01 39.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.632 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.0 t70 -142.83 125.61 16.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.035 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 8.1 m -137.18 13.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -128.33 -68.65 0.13 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.575 -0.738 . . . . 10.0 112.295 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.0 p -169.87 87.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -53.87 145.94 15.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.797 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 63.4 tttt -129.79 -100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.712 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' B' ' 30' ' ' ALA . . . -175.68 111.57 0.36 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.424 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -82.94 149.39 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' D' ' 31' ' ' ILE . 0.3 OUTLIER -102.28 91.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.655 HG22 HG13 ' D' ' 32' ' ' ILE . 27.4 pt -112.77 129.89 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.372 0.606 . . . . 10.0 112.03 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.17 113.0 2.03 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.04 104.21 13.6 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.521 ' HA ' ' O ' ' B' ' 35' ' ' MET . 2.5 mpt? -126.35 97.56 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.25 0.548 . . . . 10.0 111.049 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB ' ' D' ' 36' ' ' VAL . 25.5 t -102.55 123.29 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.564 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -117.25 114.85 3.08 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.432 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . 0.473 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -130.51 122.22 3.53 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.776 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' B' ' 39' ' ' VAL . 4.2 p -123.43 120.77 61.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.487 0.66 . . . . 10.0 110.806 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.934 -179.135 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' D' ' 12' ' ' VAL . 3.1 tp10 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 110.775 -0.083 . . . . 10.0 110.775 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.613 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 11.6 p -106.06 132.69 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.196 0.522 . . . . 10.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -61.24 132.33 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -130.68 99.15 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.325 -0.852 . . . . 10.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' E' ' 15' ' ' GLN . 9.7 pt20 -122.33 136.94 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -130.0 118.59 21.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.099 -0.955 . . . . 10.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -109.32 113.66 26.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.314 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.771 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.5 t -124.34 121.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.343 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -117.83 122.96 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.464 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' E' ' 20' ' ' PHE . 98.6 m-85 -101.6 124.76 47.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 97.1 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -101.37 100.73 11.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.282 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -93.02 116.92 29.5 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.95 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 64.9 t -111.68 -30.49 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.896 0.379 . . . . 10.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.09 -123.67 2.88 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.443 -0.884 . . . . 10.0 111.928 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -99.72 98.5 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -51.06 145.98 6.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.969 -0.559 . . . . 10.0 112.003 -179.091 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 42.4 tttm -135.0 -88.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.568 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 155.47 121.87 0.76 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.636 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -92.67 159.88 15.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.442 HD11 HG13 ' K' ' 39' ' ' VAL . 3.2 tp -111.13 98.95 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.702 0.763 . . . . 10.0 109.893 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.913 HG22 ' HB ' ' E' ' 32' ' ' ILE . 1.3 pt -123.5 130.54 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.359 -0.837 . . . . 10.0 111.367 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.28 128.98 7.98 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.467 -0.788 . . . . 10.0 112.188 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.32 95.63 5.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.2 mpt? -115.63 99.26 7.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.422 0.629 . . . . 10.0 111.262 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' C' ' 36' ' ' VAL . 40.3 t -107.83 128.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.239 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' C' ' 37' ' ' GLY . . . -129.62 133.11 7.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.638 -0.791 . . . . 10.0 112.472 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.08 136.42 5.97 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.659 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' E' ' 39' ' ' VAL . 2.2 m -129.36 152.45 37.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.519 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.3 p -156.36 153.88 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 10.0 111.656 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ILE . . . . . 0.56 HD11 HG12 ' M' ' 31' ' ' ILE . 18.3 mm -74.0 130.67 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.6 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.84 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 11' ' ' GLU . . . . . 0.94 ' HA ' HG22 ' F' ' 12' ' ' VAL . 6.1 mp0 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.704 0.764 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.38 130.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.876 -1.057 . . . . 10.0 111.725 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.43 108.75 8.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -97.64 112.97 24.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.035 0.445 . . . . 10.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' D' ' 15' ' ' GLN . 2.1 tt0 -118.07 115.08 24.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.55 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -122.3 120.81 35.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.259 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 41.9 mt -120.64 108.97 14.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.771 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.0 m -125.08 126.55 71.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.275 0.559 . . . . 10.0 112.508 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.402 ' CE2' HG21 ' E' ' 32' ' ' ILE . 24.3 m-85 -121.04 122.89 41.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.602 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.449 ' HA ' ' HB2' ' D' ' 20' ' ' PHE . 55.5 m-85 -105.58 99.56 9.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.071 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 105.99 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 10.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.15 135.72 54.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.132 0.491 . . . . 10.0 111.935 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 149.11 43.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.194 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.6 OUTLIER -140.71 19.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.16 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.84 -53.49 0.01 OUTLIER Glycine 0 C--N 1.333 0.415 0 C-N-CA 119.664 -1.255 . . . . 10.0 114.419 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.4 p -163.74 118.57 1.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.05 0.425 . . . . 10.0 110.581 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -79.31 156.16 28.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.571 . . . . 10.0 112.065 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.7 tttt -141.96 -117.64 0.11 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.22 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -165.69 109.92 0.38 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.384 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.488 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -82.51 153.38 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.648 HG12 HD11 ' L' ' 41' ' ' ILE . 0.6 OUTLIER -111.12 95.79 4.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.913 ' HB ' HG22 ' D' ' 32' ' ' ILE . 25.2 mt -124.2 125.67 70.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.585 -0.446 . . . . 10.0 111.424 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.21 4.03 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.558 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.64 ' HG ' HD23 ' F' ' 34' ' ' LEU . 6.1 mp -109.46 106.55 16.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.508 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 mpt? -121.59 100.13 6.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.1 t -108.07 116.76 52.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.849 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -121.95 124.25 5.7 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.96 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.47 129.04 6.31 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.068 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.558 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.4 p -117.73 115.0 47.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.098 0.475 . . . . 10.0 110.631 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.519 ' HB ' HG23 ' D' ' 40' ' ' VAL . 25.7 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.115 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.075 0.464 . . . . 10.0 110.091 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.991 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.0 t -118.54 114.56 45.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.345 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -87.69 127.96 35.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.051 0.453 . . . . 10.0 111.606 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -123.77 105.18 9.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.377 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 2.3 tt0 -110.99 119.25 38.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.901 0.382 . . . . 10.0 110.859 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -130.38 114.76 15.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.353 0.597 . . . . 10.0 111.751 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.44 118.68 36.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.571 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.828 ' HB ' HG12 ' G' ' 18' ' ' VAL . 13.4 t -123.84 115.06 43.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.727 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.7 126.68 54.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.661 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -105.52 129.29 53.83 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.733 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 86.1 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.438 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' G' ' 22' ' ' GLU . 5.4 pt-20 -109.48 110.99 22.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.152 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' F' ' 27' ' ' ASN . 44.4 m-20 -114.42 119.22 36.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.055 0.455 . . . . 10.0 110.346 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' G' ' 24' ' ' VAL . 32.8 m -100.79 10.34 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.387 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.8 -82.09 0.84 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 p -150.18 100.26 2.89 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.592 -0.522 . . . . 10.0 109.592 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' E' ' 28' ' ' LYS . 1.2 m120 -61.76 142.36 57.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.784 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.654 ' HA ' ' HD3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -123.59 -62.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.592 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 131.29 118.61 2.01 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.114 -1.041 . . . . 10.0 113.752 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -93.89 166.08 12.35 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.599 HG12 HG13 ' N' ' 39' ' ' VAL . 14.7 tt -111.45 113.36 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.759 0.79 . . . . 10.0 111.342 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' E' ' 32' ' ' ILE . 18.1 mt -120.11 125.0 73.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.738 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.5 113.21 2.95 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.64 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.3 mm? -105.11 98.55 8.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.5 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.8 mpt? -116.04 99.49 7.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.205 0.526 . . . . 10.0 110.974 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.09 132.67 53.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.022 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.53 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -133.62 138.28 9.98 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.576 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.88 134.0 6.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.298 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.644 HG13 HG12 ' N' ' 31' ' ' ILE . 47.8 t -125.8 127.09 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.7 p -150.27 129.38 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 41' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' H' ' 42' ' ' ALA . 8.7 pt -76.41 139.22 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.921 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.416 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.096 0.474 . . . . 10.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.991 HG12 ' HB ' ' F' ' 12' ' ' VAL . 8.1 m -130.02 134.18 63.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.127 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 13' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 5.2 t60 -94.05 102.3 14.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -92.36 120.46 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.59 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 0.0 OUTLIER -117.24 99.94 7.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -111.62 111.41 22.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 10.0 111.211 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -114.8 117.65 31.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.828 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.7 m -130.53 130.29 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -125.44 122.29 36.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.293 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.74 105.84 16.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.598 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.21 117.95 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.177 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' F' ' 22' ' ' GLU . 3.5 pt-20 -134.57 133.3 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.386 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HB2' ' H' ' 27' ' ' ASN . 4.3 t70 -118.87 138.41 52.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.868 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.537 ' HA ' HG22 ' F' ' 24' ' ' VAL . 10.5 t -117.25 1.18 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.286 0.565 . . . . 10.0 110.22 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 25' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -126.54 -73.28 0.19 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.378 -0.915 . . . . 10.0 113.141 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -157.3 110.73 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.861 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 22.3 t-20 -63.49 148.94 47.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 14.8 tttp -124.82 -80.27 0.62 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.716 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 161.69 114.33 0.33 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.851 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.9 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.096 0.158 . . . . 10.0 110.641 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 38.0 mt -107.32 97.39 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 38.0 mt -112.15 114.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.427 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.69 125.75 6.24 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.058 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' H' ' 34' ' ' LEU . 5.0 mp -124.11 109.37 13.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.842 0.353 . . . . 10.0 110.28 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.765 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.4 mpt? -120.83 104.4 9.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.057 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.88 114.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.254 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.763 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -125.28 127.99 6.45 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.238 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.5 138.87 9.3 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.499 -0.858 . . . . 10.0 112.353 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.617 HG12 ' HB ' ' F' ' 39' ' ' VAL . 21.4 m -124.67 139.6 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 10.0 110.698 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 3.8 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.229 -0.286 . . . . 10.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -76.2 133.15 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.619 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 27.6 t60 -72.52 138.62 47.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.959 0.726 . . . . 10.0 112.959 -177.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -123.46 95.53 4.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.859 . . . . 10.0 108.745 178.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -93.24 126.41 38.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.878 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -133.69 120.41 20.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.399 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.191 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 t -115.54 117.9 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.244 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.59 133.61 52.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.075 0.464 . . . . 10.0 111.036 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.34 133.77 52.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.029 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.68 70.96 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.796 -0.816 . . . . 10.0 108.796 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 22' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' H' ' 22' ' ' GLU . 0.0 OUTLIER -100.43 148.95 24.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.609 -178.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 23' ' ' ASP . . . . . 0.414 ' O ' HG23 ' G' ' 24' ' ' VAL . 3.6 t70 -145.8 141.21 27.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.196 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.25 31.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 10.0 110.736 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 25' ' ' GLY . . . . . 0.55 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -151.42 -64.68 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.607 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -153.39 92.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.861 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.5 t-20 -47.95 123.95 6.83 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 123.597 0.56 . . . . 10.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -104.63 -80.8 0.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.231 0.539 . . . . 10.0 109.989 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.27 112.8 2.46 Favored Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.425 -0.807 . . . . 10.0 112.3 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.57 -179.28 4.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.576 0.227 . . . . 10.0 110.551 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.77 116.0 46.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.125 0.488 . . . . 10.0 110.743 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -122.75 116.79 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.576 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.73 115.74 3.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.049 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' G' ' 34' ' ' LEU . 3.2 mm? -102.88 99.57 9.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.438 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 6.2 mtm -109.81 103.8 12.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.26 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.29 129.45 66.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.352 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.612 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.03 138.48 10.17 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.041 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.38 130.09 4.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.638 -0.585 . . . . 10.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.486 ' HB ' HD11 ' P' ' 31' ' ' ILE . 0.9 OUTLIER -126.96 135.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -172.42 165.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.9 169.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 42' ' ' ALA . . . . . 0.593 ' HB3' HD11 ' F' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.777 -0.63 . . . . 10.0 109.906 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.46 ' HB3' HG22 ' J' ' 12' ' ' VAL . 3.3 mm-40 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.11 0.481 . . . . 10.0 110.614 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.493 HG12 ' H ' ' I' ' 13' ' ' HIS . 0.2 OUTLIER -108.8 175.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.564 -176.758 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 13' ' ' HIS . . . . . 0.493 ' H ' HG12 ' I' ' 12' ' ' VAL . 4.2 t60 -95.53 122.27 38.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.586 -1.188 . . . . 10.0 108.711 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -103.46 100.15 10.0 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -118.95 119.71 35.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.797 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -139.25 125.45 20.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.65 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.451 HD22 HD23 ' I' ' 34' ' ' LEU . 3.9 mp -116.23 101.96 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -111.47 121.22 63.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.487 0.66 . . . . 10.0 112.504 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -113.88 120.04 39.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.193 -0.912 . . . . 10.0 109.647 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.91 109.11 17.64 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.997 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.91 137.74 44.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.817 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 22' ' ' GLU . . . . . 0.729 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 25.7 mm-40 -86.66 167.26 14.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.169 0.509 . . . . 10.0 111.104 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -142.64 89.63 2.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.783 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 48.6 t -127.05 -46.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 10.0 110.131 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 25' ' ' GLY . . . . . 0.606 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -88.06 -156.4 30.49 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.866 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -67.28 129.52 40.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.363 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -65.04 152.66 42.9 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.031 0.752 . . . . 10.0 113.031 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' I' ' 28' ' ' LYS . 6.6 tptm -162.15 -144.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.656 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.57 132.32 3.06 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.159 -1.019 . . . . 10.0 113.409 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.698 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -88.44 139.17 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.351 . . . . 10.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD13 ' J' ' 31' ' ' ILE . 31.2 mm -87.37 90.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.161 0.505 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.4 pt -104.82 128.38 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.075 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 94.36 0.7 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 121.1 -0.571 . . . . 10.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.451 HD23 HD22 ' I' ' 17' ' ' LEU . 6.7 mp -88.53 99.16 12.08 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.553 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.4 mpt? -130.18 68.32 1.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.264 0.554 . . . . 10.0 111.243 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.79 123.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.398 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.21 108.09 1.57 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.987 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 38' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' J' ' 38' ' ' GLY . . . -131.56 122.26 3.36 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.423 HG12 HG12 ' J' ' 39' ' ' VAL . 14.8 p -145.63 138.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.011 0.434 . . . . 10.0 111.034 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.376 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.022 0.439 . . . . 10.0 109.929 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.639 ' HB ' HG12 ' K' ' 12' ' ' VAL . 0.2 OUTLIER -109.23 87.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 107.786 -1.191 . . . . 10.0 107.786 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -73.0 117.04 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.667 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -115.96 88.88 2.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.048 0.451 . . . . 10.0 110.268 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' K' ' 15' ' ' GLN . 10.3 tt0 -115.39 116.09 27.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.912 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -127.32 129.24 47.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.523 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.425 ' HB3' ' HE1' ' J' ' 19' ' ' PHE . 6.2 mp -110.1 110.94 22.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.081 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 4.0 t -114.3 117.78 56.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.168 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.425 ' HE1' ' HB3' ' J' ' 17' ' ' LEU . 67.0 m-85 -119.95 115.3 23.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.177 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -104.08 114.58 28.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.02 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.54 111.01 15.77 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 22' ' ' GLU . . . . . 0.594 ' HG2' ' HG3' ' I' ' 22' ' ' GLU . 52.7 mt-10 -92.47 152.23 19.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 23' ' ' ASP . . . . . 0.729 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 m-20 -141.41 59.36 1.51 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.981 0.419 . . . . 10.0 110.3 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.783 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 38.4 t -76.26 -19.07 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.331 0.586 . . . . 10.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.73 -61.63 0.95 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.577 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.606 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 48.8 p -169.62 127.63 0.93 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.571 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 9.8 m120 -68.23 152.11 45.94 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 4.1 tptt -145.14 -90.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.157 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.43 103.15 0.17 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.767 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.493 ' HA ' ' CA ' ' K' ' 29' ' ' GLY . . . -88.1 153.26 21.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.597 0.237 . . . . 10.0 110.704 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.781 HG13 ' HA ' ' B' ' 41' ' ' ILE . 22.0 mm -97.01 100.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 32.0 mt -113.32 108.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.075 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.22 117.36 5.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 10.0 111.581 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.04 85.92 2.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.0 mpt? -118.44 85.28 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.459 0.647 . . . . 10.0 111.239 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.506 HG13 ' HB ' ' K' ' 36' ' ' VAL . 34.1 t -97.26 130.37 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.287 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.17 123.64 5.49 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.631 -0.795 . . . . 10.0 112.353 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 38' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' K' ' 38' ' ' GLY . . . -142.7 116.13 1.0 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.167 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' K' ' 39' ' ' VAL . 28.6 m -125.27 141.23 45.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 10.0 110.581 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -127.77 137.54 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.896 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 41' ' ' ILE . . . . . 0.81 ' HA ' HG13 ' B' ' 31' ' ' ILE . 18.2 tt -64.21 130.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 10.0 111.158 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.675 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' K' K ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.338 0.59 . . . . 10.0 111.254 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 12' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' J' ' 12' ' ' VAL . 4.8 m -91.42 116.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 10.0 112.521 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -87.38 99.62 12.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -85.68 112.74 21.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.158 0.504 . . . . 10.0 111.933 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 15' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 15.0 tt0 -128.71 91.09 3.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.101 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.74 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -116.59 114.41 24.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' L' ' 18' ' ' VAL . 7.1 p -135.16 131.51 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.005 0.742 . . . . 10.0 113.005 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -121.33 128.37 52.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.883 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -110.32 104.34 13.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.692 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.62 113.11 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 22' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 51.2 mt-10 -105.63 146.98 28.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.918 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' J' ' 22' ' ' GLU . 2.4 t70 -139.45 126.29 20.83 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.016 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 12.1 m -137.6 14.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' L' ' 25' ' ' GLY . . . -130.11 -70.07 0.11 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.075 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.93 82.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 0.124 . . . . 10.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 27' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' J' ' 26' ' ' SER . 58.6 t30 -50.01 144.23 7.04 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 28' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' J' ' 28' ' ' LYS . 29.3 tttt -129.77 -105.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.485 -0.779 . . . . 10.0 111.03 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 29' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' J' ' 30' ' ' ALA . . . -168.27 110.24 0.38 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 119.999 -1.096 . . . . 10.0 113.431 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 30' ' ' ALA . . . . . 0.525 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.89 148.13 27.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 31' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' L' ' 31' ' ' ILE . 0.1 OUTLIER -102.43 90.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' K' K ' 32' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' L' ' 32' ' ' ILE . 34.7 pt -112.9 131.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 10.0 111.795 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.22 115.22 2.47 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.009 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.54 96.87 6.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.006 0.431 . . . . 10.0 110.154 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' K' K ' 35' ' ' MET . . . . . 0.547 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 4.1 mpp? -119.77 95.47 4.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.241 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 36' ' ' VAL . . . . . 0.506 ' HB ' HG13 ' J' ' 36' ' ' VAL . 40.7 t -102.24 121.98 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.563 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 37' ' ' GLY . . . . . 0.441 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -115.88 116.15 3.57 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.965 -0.636 . . . . 10.0 112.378 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 38' ' ' GLY . . . . . 0.46 ' O ' ' HA2' ' J' ' 38' ' ' GLY . . . -129.23 124.69 4.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.69 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' J' ' 39' ' ' VAL . 7.7 p -125.29 121.42 60.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.389 0.614 . . . . 10.0 111.024 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.009 -179.222 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' L' L ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 31.7 mt-10 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 12' ' ' VAL . . . . . 0.458 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 5.3 p -71.73 142.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 112.041 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -81.93 135.36 35.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.557 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -128.09 104.13 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.486 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 15' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 28.8 pt20 -125.83 138.42 53.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.387 0.613 . . . . 10.0 112.371 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -133.77 120.8 20.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.402 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -111.01 115.96 30.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.488 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 18' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' M' ' 18' ' ' VAL . 7.7 t -125.18 122.45 63.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.031 0.443 . . . . 10.0 111.12 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -119.21 122.81 42.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.308 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 98.1 m-85 -102.18 126.82 49.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.638 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.29 97.77 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -99.35 93.68 6.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 1.0 OUTLIER -87.35 114.53 24.05 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 179.59 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' L' L ' 24' ' ' VAL . . . . . 0.55 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 61.4 t -111.79 -25.45 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.828 0.347 . . . . 10.0 111.185 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -98.61 -118.94 4.04 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.6 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -100.16 95.39 6.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.21 145.03 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.608 0.567 . . . . 10.0 112.152 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 28' ' ' LYS . . . . . 0.777 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 27.6 tttm -136.2 -85.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.007 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 29' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 152.85 123.19 0.96 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.125 -1.035 . . . . 10.0 112.943 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 30' ' ' ALA . . . . . 0.55 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -92.21 159.04 15.83 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.162 -0.31 . . . . 10.0 110.162 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 31' ' ' ILE . . . . . 0.497 ' HB ' HD12 ' K' ' 31' ' ' ILE . 3.6 tp -111.21 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.692 0.758 . . . . 10.0 110.14 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 32' ' ' ILE . . . . . 0.828 HG22 ' HB ' ' M' ' 32' ' ' ILE . 6.0 pt -124.43 135.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.374 -0.83 . . . . 10.0 111.333 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.96 128.14 7.12 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.417 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.33 94.32 5.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 35' ' ' MET . . . . . 0.408 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 3.1 mpp? -114.09 96.93 6.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.479 0.657 . . . . 10.0 111.562 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 36' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' K' ' 36' ' ' VAL . 48.0 t -106.84 128.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 37' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' K' ' 37' ' ' GLY . . . -130.89 132.22 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.286 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.82 135.79 5.88 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.379 -0.915 . . . . 10.0 112.799 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' L' L ' 39' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' M' ' 39' ' ' VAL . 1.5 m -127.24 151.28 33.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 40' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' M' ' 40' ' ' VAL . 9.9 p -153.58 154.03 7.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.378 . . . . 10.0 111.686 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 41' ' ' ILE . . . . . 0.648 HD11 HG12 ' E' ' 31' ' ' ILE . 23.0 mm -72.57 131.49 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.945 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.463 179.538 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' M' M ' 11' ' ' GLU . . . . . 0.848 ' HA ' HG22 ' N' ' 12' ' ' VAL . 1.5 mp0 . . . . . 0 CA--C 1.524 -0.045 0 CA-C-O 121.482 0.658 . . . . 10.0 110.518 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 12' ' ' VAL . . . . . 0.415 HG12 HG12 ' L' ' 12' ' ' VAL . 27.8 m -73.1 131.31 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.769 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -73.43 118.08 15.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.601 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -102.89 110.33 22.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.223 0.535 . . . . 10.0 111.602 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 15' ' ' GLN . . . . . 0.478 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 0.7 OUTLIER -119.01 121.12 39.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.249 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -132.58 125.68 31.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.101 0.477 . . . . 10.0 111.258 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 33.2 mt -120.97 111.03 16.99 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.6 OUTLIER -124.7 126.24 71.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.27 0.557 . . . . 10.0 112.482 -178.726 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 19' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' M' ' 34' ' ' LEU . 26.7 m-85 -122.28 124.1 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.893 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 49.8 m-85 -106.91 100.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.46 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.11 108.94 20.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.19 132.45 56.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.821 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 143.19 51.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.223 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 24' ' ' VAL . . . . . 0.55 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -138.57 18.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.017 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 25' ' ' GLY . . . . . 0.486 ' O ' ' HA3' ' L' ' 25' ' ' GLY . . . -152.56 -67.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.621 -1.276 . . . . 10.0 114.253 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.9 121.51 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.544 -0.386 . . . . 10.0 110.297 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -84.56 150.96 24.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.142 0.496 . . . . 10.0 111.078 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 28' ' ' LYS . . . . . 0.777 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 2.1 tttt -139.94 -112.9 0.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.057 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 29' ' ' GLY . . . . . 0.55 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . -175.05 112.52 0.41 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.123 -1.037 . . . . 10.0 113.14 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 30' ' ' ALA . . . . . 0.481 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -83.68 154.18 23.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 31' ' ' ILE . . . . . 0.56 HG12 HD11 ' D' ' 41' ' ' ILE . 0.7 OUTLIER -109.57 96.02 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' M' M ' 32' ' ' ILE . . . . . 0.828 ' HB ' HG22 ' L' ' 32' ' ' ILE . 26.4 mt -122.36 126.45 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 10.0 111.095 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.23 114.25 2.44 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.852 -0.689 . . . . 10.0 111.877 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 34' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.0 mp -103.3 106.62 17.18 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 35' ' ' MET . . . . . 0.849 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.0 mmt -118.96 101.36 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.233 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 36' ' ' VAL . . . . . 0.42 HG11 HE22 ' M' ' 15' ' ' GLN . 31.1 t -109.7 117.72 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 37' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -122.85 123.59 5.4 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.529 -0.843 . . . . 10.0 112.741 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.64 128.08 5.61 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' M' M ' 39' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.3 p -117.97 114.06 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.274 0.559 . . . . 10.0 110.576 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' M' M ' 40' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' L' ' 40' ' ' VAL . 26.2 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.196 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.958 0.409 . . . . 10.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' N' N ' 12' ' ' VAL . . . . . 0.975 ' HB ' HG12 ' O' ' 12' ' ' VAL . 6.2 t -102.0 127.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.804 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -97.87 129.95 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.113 0.482 . . . . 10.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -124.32 114.41 19.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.163 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -122.71 114.22 20.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.867 0.365 . . . . 10.0 110.904 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -128.72 116.95 20.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.455 0.645 . . . . 10.0 111.914 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.91 118.13 35.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.174 -0.921 . . . . 10.0 109.405 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 18' ' ' VAL . . . . . 0.834 ' HB ' HG12 ' O' ' 18' ' ' VAL . 5.1 t -121.49 115.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.073 0.463 . . . . 10.0 110.416 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.29 125.41 51.03 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.595 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.26 86.35 2.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -109.48 116.51 31.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.062 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' O' ' 23' ' ' ASP . 43.3 m-20 -116.76 118.66 33.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 24' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' O' ' 24' ' ' VAL . 32.7 m -98.71 9.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.64 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.28 -86.43 1.1 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.728 -0.749 . . . . 10.0 111.603 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.76 102.67 3.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.825 -0.435 . . . . 10.0 109.825 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 27' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' M' ' 28' ' ' LYS . 1.4 m120 -63.32 145.68 55.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.898 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' M' ' 28' ' ' LYS . 0.0 OUTLIER -127.49 -65.5 0.93 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.706 -0.85 . . . . 10.0 108.706 178.618 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' N' N ' 29' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 133.98 120.22 2.06 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 119.962 -1.113 . . . . 10.0 113.538 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 30' ' ' ALA . . . . . 0.486 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -95.47 165.89 12.13 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 31' ' ' ILE . . . . . 0.644 HG12 HG13 ' F' ' 39' ' ' VAL . 12.6 tt -110.99 113.82 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.821 0.82 . . . . 10.0 111.236 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 32' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' M' ' 32' ' ' ILE . 16.6 mt -120.07 122.31 68.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.642 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.44 113.56 3.28 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 111.381 -0.688 . . . . 10.0 111.381 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 34' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.3 mm? -104.62 101.88 11.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 35' ' ' MET . . . . . 0.53 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 1.8 mpt? -118.79 100.32 7.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.194 0.521 . . . . 10.0 111.037 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 t -110.32 130.36 63.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.914 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -134.52 134.28 7.29 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.691 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.11 135.41 7.89 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' N' N ' 39' ' ' VAL . . . . . 0.599 HG13 HG12 ' F' ' 31' ' ' ILE . 46.2 t -125.59 126.62 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 40' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 5.3 p -150.22 131.84 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 41' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' P' ' 42' ' ' ALA . 8.9 pt -80.42 135.29 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.561 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.234 0.54 . . . . 10.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' O' O ' 12' ' ' VAL . . . . . 0.975 HG12 ' HB ' ' N' ' 12' ' ' VAL . 11.0 m -123.67 131.34 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.283 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.42 102.59 15.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.813 -1.18 . . . . 10.0 107.813 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.81 110.44 22.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.12 0.486 . . . . 10.0 112.071 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.98 100.76 10.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -112.27 111.75 22.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.915 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -115.85 118.57 33.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 18' ' ' VAL . . . . . 0.834 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.8 m -130.37 131.53 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.786 0.662 . . . . 10.0 112.786 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -126.49 123.9 38.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.075 -0.966 . . . . 10.0 109.147 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.97 105.44 15.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.901 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.07 119.15 34.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 22' ' ' GLU . . . . . 0.686 ' HG3' ' HB3' ' P' ' 22' ' ' GLU . 1.6 pt-20 -137.69 129.0 27.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.564 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 23' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' P' ' 27' ' ' ASN . 4.7 t70 -112.74 143.08 44.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.991 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 24' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' N' ' 24' ' ' VAL . 24.5 t -119.62 -1.28 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.374 0.607 . . . . 10.0 110.162 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 25' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -127.67 -69.42 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.325 -0.941 . . . . 10.0 113.491 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -157.21 110.84 2.59 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.754 -0.263 . . . . 10.0 110.772 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 27' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 22.2 t-20 -64.07 148.9 48.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.252 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 28' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 56.2 tttp -126.02 -77.5 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.565 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 159.07 114.31 0.38 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.894 -1.146 . . . . 10.0 112.942 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.16 163.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 40.9 mt -109.35 98.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -111.55 115.46 49.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.289 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 33' ' ' GLY . . . . . 0.424 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.6 122.65 5.22 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.323 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.13 107.54 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 35' ' ' MET . . . . . 0.763 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 2.2 mpt? -118.57 103.47 9.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.407 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -113.2 115.63 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.842 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 37' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -129.77 121.55 3.47 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.029 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 139.19 10.52 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.428 -0.892 . . . . 10.0 112.956 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' O' O ' 39' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' N' ' 39' ' ' VAL . 19.5 m -120.4 143.66 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.855 0.36 . . . . 10.0 110.336 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' O' O ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.6 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.808 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 12' ' ' VAL . . . . . 0.557 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -79.77 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -67.52 133.18 49.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -114.93 96.19 5.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -94.21 121.93 36.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.022 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -133.02 113.83 13.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.474 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.0 119.15 33.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.781 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.81 124.44 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.529 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -130.59 137.11 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 10.0 110.841 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -113.79 130.03 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.75 73.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 22' ' ' GLU . . . . . 0.686 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -103.49 151.65 22.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.747 -179.306 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 23' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' P' ' 25' ' ' GLY . 0.4 OUTLIER -144.89 148.2 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.246 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 24' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.4 t -122.48 13.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 10.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 25' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -130.03 -62.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.508 -0.854 . . . . 10.0 112.248 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -159.43 98.19 1.39 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 27' ' ' ASN . . . . . 0.816 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 38.9 t-20 -49.07 119.62 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.826 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' O' ' 28' ' ' LYS . 42.3 tttp -95.33 -87.29 0.28 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.232 0.539 . . . . 10.0 110.31 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.3 1.59 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.904 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.27 176.25 5.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 31' ' ' ILE . . . . . 0.486 HD11 ' HB ' ' H' ' 39' ' ' VAL . 0.0 OUTLIER -103.91 115.68 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.05 0.452 . . . . 10.0 110.581 179.415 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mt -121.5 118.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.375 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' CG1' ' H' ' 39' ' ' VAL . . . -116.32 121.18 5.12 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.589 -0.815 . . . . 10.0 112.816 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 34' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' P' ' 34' ' ' LEU . 2.7 mm? -111.15 87.43 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.361 . . . . 10.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 35' ' ' MET . . . . . 0.612 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 4.7 mpp? -97.54 101.31 12.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.992 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 37.5 t -109.37 122.17 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.834 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 37' ' ' GLY . . . . . 0.438 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -119.3 154.93 16.26 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.318 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.77 132.31 3.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.117 -0.563 . . . . 10.0 111.808 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 39' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' P' ' 40' ' ' VAL . 0.8 OUTLIER -132.41 143.7 39.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.66 0.267 . . . . 10.0 111.613 -179.418 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' P' P ' 40' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' P' ' 39' ' ' VAL . 7.2 p 177.48 164.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.47 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -169.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.159 -0.312 . . . . 10.0 110.159 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' P' P ' 42' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.742 -0.647 . . . . 10.0 109.755 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.526 0.203 . . . . 10.0 110.593 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 6.8 t60 -66.89 117.55 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.874 -0.788 . . . . 10.0 108.874 178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.67 84.97 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.128 0.489 . . . . 10.0 111.461 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HB2' ' CD2' ' A' ' 13' ' ' HIS . 50.4 tp60 -97.13 119.29 35.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -130.18 121.52 26.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.963 0.411 . . . . 10.0 111.565 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' A' ' 34' ' ' LEU . 18.8 mt -121.17 109.8 15.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.56 -0.904 . . . . 10.0 108.56 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.33 130.38 67.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -121.72 120.75 35.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.394 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.06 109.57 19.04 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.003 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -110.0 136.36 49.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.192 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.765 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.8 mm-40 -87.35 167.99 13.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.088 0.471 . . . . 10.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -144.2 94.17 2.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.572 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 43.0 t -132.21 -40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 110.189 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.94 -154.84 30.94 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.421 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.9 OUTLIER -74.26 125.48 28.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.63 -0.137 . . . . 10.0 110.63 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -59.32 149.82 27.8 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 30.8 tptt -150.71 -108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.628 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.479 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 165.01 125.06 0.74 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.368 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.7 153.6 20.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.696 0.284 . . . . 10.0 111.246 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.671 ' HB ' HD13 ' B' ' 31' ' ' ILE . 36.8 mm -103.89 98.34 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.244 0.545 . . . . 10.0 110.145 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' HB ' ' B' ' 32' ' ' ILE . 21.0 pt -111.27 135.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.57 96.65 0.54 Allowed Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.147 -0.781 . . . . 10.0 111.147 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.614 HD23 HD13 ' A' ' 17' ' ' LEU . 7.4 mp -92.02 85.81 5.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.503 . . . . 10.0 111.37 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.44 65.62 0.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.518 0.675 . . . . 10.0 110.35 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.45 124.42 39.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.06 123.09 6.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.05 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.52 106.57 0.37 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.365 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.88 140.2 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 10.0 110.944 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' B' ' 40' ' ' VAL . 61.9 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.492 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 . . . . . 0 C--O 1.234 0.25 0 N-CA-C 108.972 -0.751 . . . . 10.0 108.972 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -97.99 125.04 42.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.713 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -133.01 122.24 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.663 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.492 ' HB2' HD23 ' A' ' 17' ' ' LEU . 7.2 mp -112.51 115.18 28.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.704 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.5 t -119.41 118.9 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.003 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.34 121.36 38.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 10.0 111.617 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.7 125.48 51.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.88 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -134.39 107.62 7.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 mt-10 -88.9 154.51 20.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.701 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.5 m-20 -144.48 58.35 1.32 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 62.4 t -76.54 -25.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.97 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 -62.42 1.3 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.178 -1.01 . . . . 10.0 111.335 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.709 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 21.9 p -166.99 124.02 1.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.701 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 9.7 m120 -61.98 153.02 30.65 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.614 0.571 . . . . 10.0 110.531 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 21.4 tptt -147.74 -111.5 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.714 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.642 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -179.24 105.59 0.2 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.767 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -88.13 156.45 19.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.574 0.226 . . . . 10.0 110.633 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.918 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.0 mm -100.53 101.97 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.475 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -116.2 106.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.748 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.96 115.8 5.4 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.809 -0.71 . . . . 10.0 112.012 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -110.27 90.61 3.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.466 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 1.5 mpt? -121.26 78.98 1.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.328 0.585 . . . . 10.0 111.134 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.691 HG13 ' HB ' ' C' ' 36' ' ' VAL . 44.7 t -96.81 130.84 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.143 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.75 122.45 5.02 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.826 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -136.25 116.69 1.49 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.881 -0.676 . . . . 10.0 111.553 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' C' ' 39' ' ' VAL . 34.8 m -129.41 143.54 40.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.032 0.444 . . . . 10.0 110.688 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' A' ' 40' ' ' VAL . 41.5 t -130.09 140.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.937 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.937 ' HA ' HG13 ' J' ' 31' ' ' ILE . 7.2 tp -62.2 135.38 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.045 0.45 . . . . 10.0 111.094 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.585 179.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.728 0.775 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -84.27 120.75 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.994 -1.003 . . . . 10.0 111.762 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -74.35 87.05 2.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.383 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.1 m170 -74.44 112.93 11.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.247 0.546 . . . . 10.0 111.651 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -124.05 100.1 6.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.23 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -110.43 118.17 35.56 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.011 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.464 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 52.5 mt -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.998 -1.112 . . . . 10.0 107.998 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' D' ' 18' ' ' VAL . 9.8 p -131.28 131.73 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 113.075 0.768 . . . . 10.0 113.075 -178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 16.2 m-85 -122.08 129.1 52.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.732 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.37 97.43 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.178 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 112.62 25.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.869 0.366 . . . . 10.0 110.168 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 53.2 mt-10 -103.7 153.79 20.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.053 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.564 ' HB2' HD21 ' D' ' 27' ' ' ASN . 2.6 t70 -146.52 124.89 12.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.832 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' D' ' 24' ' ' VAL . 1.7 m -138.93 19.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.78 -64.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.481 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -170.58 82.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.796 0.298 . . . . 10.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 58.2 t30 -52.29 145.0 11.7 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 69.0 tttt -132.03 -105.87 0.26 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -162.64 107.46 0.31 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.394 -1.384 . . . . 10.0 113.963 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -80.23 147.77 31.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' D' ' 31' ' ' ILE . 0.5 OUTLIER -107.91 92.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.111 0.481 . . . . 10.0 110.217 -179.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.822 HG22 ' HB ' ' D' ' 32' ' ' ILE . 15.4 pt -116.3 132.53 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.406 0.622 . . . . 10.0 112.138 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.73 114.47 2.45 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.321 -0.854 . . . . 10.0 111.584 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.463 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.4 mp -106.49 102.54 11.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.79 0.328 . . . . 10.0 110.372 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 2.2 mpt? -124.92 91.84 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 10.0 110.957 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.691 ' HB ' HG13 ' B' ' 36' ' ' VAL . 46.4 t -98.61 123.8 51.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.98 122.04 5.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.703 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . 0.422 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -135.7 124.58 3.34 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.077 -0.582 . . . . 10.0 112.034 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' B' ' 39' ' ' VAL . 4.4 p -130.12 121.16 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.436 0.636 . . . . 10.0 111.023 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' D' ' 42' ' ' ALA . 28.6 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.692 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 4.8 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -104.91 131.22 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 10.0 111.651 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . 0.625 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 5.2 t-160 -86.78 126.83 34.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.56 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . 0.532 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 96.8 m-70 -124.6 98.42 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -109.33 128.89 55.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.141 0.496 . . . . 10.0 111.503 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -131.56 114.98 15.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.053 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -110.84 115.34 29.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.38 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' C' ' 18' ' ' VAL . 11.9 t -124.14 122.75 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.821 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 41.3 m-85 -121.4 126.6 49.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.593 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.49 127.56 53.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.48 98.04 4.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -102.06 90.69 4.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.853 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -84.66 113.54 21.35 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.496 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.8 t -111.25 -30.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.98 -94.12 0.99 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.372 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.442 ' C ' HD22 ' E' ' 27' ' ' ASN . 23.6 m -132.6 103.33 6.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.564 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -56.01 149.66 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.652 -0.704 . . . . 10.0 112.132 -178.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 11.2 tttm -141.01 -78.51 0.28 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 10.0 111.114 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 150.91 119.82 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.553 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -99.81 164.31 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.494 0.187 . . . . 10.0 110.746 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.584 HD13 ' HB ' ' C' ' 31' ' ' ILE . 1.8 mm -105.07 115.81 47.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.822 ' HB ' HG22 ' C' ' 32' ' ' ILE . 76.5 mt -131.32 114.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.921 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -109.19 118.46 5.23 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.395 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.463 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.4 mm? -108.09 97.16 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.607 ' HB2' ' HG3' ' E' ' 35' ' ' MET . 1.7 mpt? -118.43 92.45 3.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.374 0.607 . . . . 10.0 111.045 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' C' ' 36' ' ' VAL . 61.8 t -98.08 121.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.783 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.425 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -116.76 118.24 4.1 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.335 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.35 127.63 4.76 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' HA3' ' L' ' 33' ' ' GLY . 11.0 m -133.08 144.69 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.485 HG13 HG13 ' C' ' 40' ' ' VAL . 7.3 p -154.41 140.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.136 0.494 . . . . 10.0 111.985 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.414 HG12 HG23 ' M' ' 31' ' ' ILE . 18.0 mm -75.35 122.28 28.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.16 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . 0.557 ' HB2' HG12 ' C' ' 40' ' ' VAL . . . . . . . . 0 C--O 1.238 0.455 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.206 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.586 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mp0 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.812 0.815 . . . . 10.0 109.785 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' D' ' 14' ' ' HIS . 29.1 m -78.03 145.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.391 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . 0.625 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 5.8 t60 -97.89 91.56 5.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -85.98 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.166 0.507 . . . . 10.0 111.014 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -119.27 105.84 11.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.43 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -119.23 120.99 38.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 10.0 112.049 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -120.76 109.8 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.703 -0.851 . . . . 10.0 108.703 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 t -125.24 128.08 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.113 0.482 . . . . 10.0 111.971 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.412 ' CE1' HD21 ' E' ' 34' ' ' LEU . 22.7 m-85 -123.41 125.63 45.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.92 106.88 17.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.05 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.96 104.2 11.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -113.44 139.52 48.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.578 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.57 145.63 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.648 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.474 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -142.02 20.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.878 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.76 -50.21 0.01 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 119.687 -1.244 . . . . 10.0 114.429 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.84 125.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.033 0.417 . . . . 10.0 110.98 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.442 HD22 ' C ' ' D' ' 26' ' ' SER . 5.2 m-80 -92.37 149.53 21.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.365 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.778 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 59.4 tttt -132.72 -92.38 0.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.23 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . 173.03 106.81 0.2 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.142 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.626 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.98 166.07 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.684 ' HB ' HD12 ' F' ' 31' ' ' ILE . 0.3 OUTLIER -120.48 90.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -113.88 121.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.015 0.436 . . . . 10.0 111.349 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 120.56 4.52 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.762 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.659 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.8 mp -114.07 100.19 8.2 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.607 ' HG3' ' HB2' ' D' ' 35' ' ' MET . 2.7 mpt? -122.16 100.65 7.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.27 0.557 . . . . 10.0 110.773 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.563 HG12 ' HB ' ' F' ' 36' ' ' VAL . 16.2 m -109.8 139.5 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.93 122.65 4.18 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.708 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.67 1.21 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.68 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.542 HG23 ' CG2' ' D' ' 39' ' ' VAL . 13.9 p -107.51 109.8 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.674 . . . . 10.0 110.737 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.235 0.31 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.887 -179.526 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' G' ' 11' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.102 0.477 . . . . 10.0 110.731 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.609 ' HB ' HG12 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -109.54 108.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.561 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -85.84 124.7 32.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.649 0.261 . . . . 10.0 111.225 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -126.0 90.19 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 10.0 110.12 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.474 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 7.1 tt0 -107.44 118.7 37.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.422 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' F' ' 16' ' ' LYS . 19.2 ptmt -131.79 122.23 25.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.529 0.681 . . . . 10.0 111.953 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -116.22 115.35 25.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.111 -0.95 . . . . 10.0 108.875 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.68 ' HB ' HG12 ' G' ' 18' ' ' VAL . 20.4 t -123.44 119.61 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.992 0.425 . . . . 10.0 110.634 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.441 ' HE2' HG21 ' G' ' 32' ' ' ILE . 18.9 m-85 -117.11 126.33 52.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.56 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.82 125.93 49.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.77 84.76 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -108.15 107.57 18.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.926 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.664 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 47.7 m-20 -106.89 124.45 49.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.036 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.454 HG22 ' O ' ' G' ' 23' ' ' ASP . 18.7 m -103.9 -0.9 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.525 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.53 -82.83 1.16 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.382 -0.913 . . . . 10.0 112.388 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -139.97 111.12 7.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -74.11 141.69 45.61 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' G' ' 28' ' ' LYS . 0.3 OUTLIER -122.58 -90.32 0.58 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 166.95 113.27 0.27 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.011 -1.09 . . . . 10.0 112.739 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.458 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -91.54 154.83 18.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.678 -0.489 . . . . 10.0 109.678 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.684 HD12 ' HB ' ' E' ' 31' ' ' ILE . 6.3 tp -100.59 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.621 0.724 . . . . 10.0 109.781 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.458 HG12 HD12 ' G' ' 32' ' ' ILE . 28.1 mt -115.18 123.65 71.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.756 . . . . 10.0 111.243 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.481 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -123.43 116.99 3.07 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.575 -0.61 . . . . 10.0 111.575 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.659 HD23 ' HG ' ' E' ' 34' ' ' LEU . 1.9 mm? -108.41 102.63 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.479 ' HG2' ' CA ' ' N' ' 37' ' ' GLY . 2.0 mpp? -117.37 101.95 8.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 10.0 111.126 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.563 ' HB ' HG12 ' E' ' 36' ' ' VAL . 59.4 t -111.89 124.51 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.831 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' N' ' 35' ' ' MET . . . -123.27 130.92 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.784 -0.722 . . . . 10.0 113.015 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 130.92 6.91 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.923 -0.656 . . . . 10.0 111.885 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.734 ' HB ' HG12 ' G' ' 39' ' ' VAL . 87.7 t -124.86 124.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 7.4 p -148.75 138.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 10.0 111.807 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.59 121.13 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.014 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.011 179.725 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . 0.461 ' C ' HG11 ' H' ' 12' ' ' VAL . 16.1 mm-40 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.194 0.521 . . . . 10.0 110.2 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.609 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.4 m -110.03 131.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -96.92 93.25 6.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.25 98.64 10.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.41 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 1.1 tt0 -106.87 95.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -110.41 117.47 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.8 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.627 HD13 HD23 ' G' ' 34' ' ' LEU . 21.6 mt -123.32 112.42 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.68 HG12 ' HB ' ' F' ' 18' ' ' VAL . 10.7 m -129.06 137.87 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.991 0.737 . . . . 10.0 112.991 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -126.1 128.64 47.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.199 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -109.9 108.42 18.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.518 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.12 121.47 36.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -133.3 129.5 37.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.664 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.1 t70 -101.54 148.66 24.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.723 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' F' ' 24' ' ' VAL . 38.3 t -124.41 -26.95 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 110.775 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -116.75 -64.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.473 -0.87 . . . . 10.0 113.147 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -159.57 116.81 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.903 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 16.7 t-20 -80.39 154.16 27.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 10.0 110.54 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 1.0 OUTLIER -123.58 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.017 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 161.21 119.01 0.5 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.238 -0.982 . . . . 10.0 112.99 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.33 160.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.816 HD12 ' HB ' ' H' ' 31' ' ' ILE . 21.6 mt -97.88 99.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.458 HD12 HG12 ' F' ' 32' ' ' ILE . 65.1 mt -110.32 106.86 21.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.908 0.385 . . . . 10.0 110.45 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.546 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -118.84 112.26 2.29 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.576 -0.821 . . . . 10.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.627 HD23 HD13 ' G' ' 17' ' ' LEU . 8.5 mp -110.4 109.75 20.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.828 0.347 . . . . 10.0 110.278 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.767 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 11.2 mmt -117.21 104.1 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.823 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -115.04 114.53 46.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.497 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.755 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -125.83 126.62 5.9 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.64 -0.791 . . . . 10.0 112.202 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.52 134.15 6.68 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.58 -0.819 . . . . 10.0 112.764 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.734 HG12 ' HB ' ' F' ' 39' ' ' VAL . 32.8 m -121.51 136.88 56.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.76 0.314 . . . . 10.0 110.684 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 2.1 p . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.517 0.198 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.588 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.92 143.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.86 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -63.47 122.44 16.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.61 112.82 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -115.16 126.87 55.12 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.063 0.459 . . . . 10.0 111.335 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -132.94 113.03 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.551 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' G' ' 17' ' ' LEU . 5.0 mp -123.93 111.98 16.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.885 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.441 HG13 HG23 ' G' ' 18' ' ' VAL . 18.0 t -119.83 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.228 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -127.54 132.07 49.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.8 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -110.37 131.98 54.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.19 87.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.867 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 151.85 22.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.769 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.82 155.44 32.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.98 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -134.34 9.88 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.845 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -170.04 -63.4 0.04 OUTLIER Glycine 0 C--N 1.331 0.255 0 C-N-CA 119.87 -1.157 . . . . 10.0 113.666 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -134.05 92.2 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.353 -0.498 . . . . 10.0 111.023 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.903 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 13.7 t-20 -66.03 138.17 57.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.846 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -121.78 -77.1 0.58 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.97 120.21 3.01 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.69 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 172.39 7.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.816 ' HB ' HD12 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -89.48 117.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.147 0.499 . . . . 10.0 111.095 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mt -124.53 109.66 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.946 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.37 122.79 5.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.034 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -112.73 106.95 15.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.705 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.3 mpp? -107.49 104.86 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.857 0.361 . . . . 10.0 110.743 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -105.36 126.09 60.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.251 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.659 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.69 132.93 7.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.341 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.39 134.74 7.33 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.114 -0.565 . . . . 10.0 112.28 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' P' ' 31' ' ' ILE . 2.7 m -131.67 139.2 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.459 0.171 . . . . 10.0 110.714 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 p . . . . . 0 C--N 1.326 -0.423 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 179.629 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--O 1.233 0.209 0 N-CA-C 108.561 -0.903 . . . . 10.0 108.561 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -96.21 92.9 6.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.227 0.537 . . . . 10.0 111.665 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -106.4 123.15 47.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.192 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -131.76 124.68 30.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.869 0.366 . . . . 10.0 111.407 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.541 HD13 HD23 ' I' ' 34' ' ' LEU . 25.2 mt -123.13 107.66 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.09 128.66 70.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.96 118.65 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.112 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.33 99.46 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.389 . . . . 10.0 111.341 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.51 129.44 49.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.823 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.816 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 3.8 mm-40 -84.73 173.33 10.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.085 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.494 ' HA ' HD21 ' J' ' 27' ' ' ASN . 39.5 t0 -153.42 90.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.788 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.809 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 47.0 t -123.09 -41.26 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.783 0.325 . . . . 10.0 110.295 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -86.93 -144.77 8.74 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.14 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 2.0 p -83.49 123.85 30.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.925 0.363 . . . . 10.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -57.75 149.92 21.02 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -150.49 -106.03 0.07 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.771 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.84 121.68 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.667 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.725 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.67 163.42 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.718 0.294 . . . . 10.0 111.353 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD13 ' J' ' 31' ' ' ILE . 41.5 mm -111.71 102.51 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 109.794 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.471 HG22 ' HB ' ' J' ' 32' ' ' ILE . 13.1 pt -115.14 123.11 70.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.544 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.42 93.83 0.79 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.424 -0.67 . . . . 10.0 111.424 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.541 HD23 HD13 ' I' ' 17' ' ' LEU . 6.8 mp -90.19 93.14 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.877 0.37 . . . . 10.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.413 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.3 mpt? -123.02 64.88 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' J' ' 36' ' ' VAL . 32.9 t -85.01 123.56 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.5 114.58 3.29 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.156 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 117.02 1.65 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.77 141.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.909 0.385 . . . . 10.0 111.125 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' J' ' 40' ' ' VAL . 57.5 t . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.516 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.3 m80 . . . . . 0 C--O 1.234 0.258 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -101.25 122.76 44.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.461 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -131.5 121.84 25.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.35 0.595 . . . . 10.0 111.743 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.2 mp -108.61 115.99 31.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.292 -0.867 . . . . 10.0 109.559 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 5.3 t -119.22 117.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.005 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -119.9 121.23 38.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.918 0.389 . . . . 10.0 111.617 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -105.82 126.75 52.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.508 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.63 105.89 6.03 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.816 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.5 mt-10 -88.17 154.99 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.682 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 7.6 m-20 -144.23 60.07 1.35 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.809 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 59.8 t -78.41 -24.76 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 111.087 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.16 -63.85 1.19 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.396 -0.907 . . . . 10.0 111.847 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.412 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 95.0 p -162.15 123.14 2.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.682 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 7.9 m120 -64.01 149.25 47.81 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.899 0.38 . . . . 10.0 110.106 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.656 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 10.9 tptt -144.69 -117.37 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.421 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.725 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -171.89 105.88 0.22 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.173 -1.013 . . . . 10.0 112.636 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -87.18 154.23 20.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.438 0.161 . . . . 10.0 110.574 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.937 HG13 ' HA ' ' B' ' 41' ' ' ILE . 16.6 mm -99.91 102.07 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.471 ' HB ' HG22 ' I' ' 32' ' ' ILE . 23.9 mt -115.96 108.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.604 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.41 113.76 4.76 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.676 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.8 91.6 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.456 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 1.8 mpt? -122.08 81.38 1.82 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.37 0.605 . . . . 10.0 111.049 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.595 HG13 ' HB ' ' K' ' 36' ' ' VAL . 47.2 t -98.57 131.4 45.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.26 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.99 122.29 5.04 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.561 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.77 113.51 1.05 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.827 -0.702 . . . . 10.0 111.799 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' K' ' 39' ' ' VAL . 34.5 m -128.22 144.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.055 0.455 . . . . 10.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' I' ' 40' ' ' VAL . 39.3 t -130.25 141.46 46.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.1 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.918 ' HA ' HG13 ' B' ' 31' ' ' ILE . 7.0 tp -63.11 132.93 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.936 0.398 . . . . 10.0 111.173 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.142 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.381 0.61 . . . . 10.0 110.606 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.01 128.68 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 10.0 112.358 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -84.17 91.46 7.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.151 -0.931 . . . . 10.0 108.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -75.36 109.33 8.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.271 0.558 . . . . 10.0 112.139 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -120.4 98.77 6.21 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -111.18 118.93 37.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.938 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 43.0 mt -119.86 112.22 18.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' L' ' 18' ' ' VAL . 9.1 p -133.51 131.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 15.1 m-85 -121.21 128.63 52.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.754 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -110.1 98.83 8.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.838 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.65 112.66 25.48 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 22.6 mt-10 -105.16 154.47 20.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.209 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.645 ' HB2' HD21 ' L' ' 27' ' ' ASN . 2.7 t70 -147.12 122.68 10.44 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.316 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 5.6 m -136.11 15.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.71 -63.32 0.12 Allowed Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.326 -0.852 . . . . 10.0 112.674 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.4 p -175.94 85.27 0.03 OUTLIER 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.269 -0.271 . . . . 10.0 110.269 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 59.8 t30 -53.44 146.55 12.35 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 31.7 tttt -133.06 -103.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.753 . . . . 10.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -165.21 107.92 0.31 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.356 -1.402 . . . . 10.0 114.13 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -80.6 146.25 31.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.616 ' HB ' HD13 ' L' ' 31' ' ' ILE . 0.4 OUTLIER -106.07 92.0 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.182 0.515 . . . . 10.0 109.983 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.856 HG22 ' HB ' ' L' ' 32' ' ' ILE . 13.1 pt -115.46 131.03 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.346 0.594 . . . . 10.0 112.208 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.43 115.07 2.73 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.534 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.459 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -107.38 102.67 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.879 0.371 . . . . 10.0 110.189 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.456 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 2.2 mpt? -124.74 91.7 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.273 0.558 . . . . 10.0 110.886 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.595 ' HB ' HG13 ' J' ' 36' ' ' VAL . 49.2 t -98.75 125.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.39 120.69 4.79 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.514 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.72 124.07 3.35 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.076 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' J' ' 39' ' ' VAL . 4.4 p -129.05 120.4 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.354 0.597 . . . . 10.0 111.042 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' L' ' 42' ' ' ALA . 25.7 t . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.726 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.213 0.054 . . . . 10.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 p -112.26 130.23 66.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.843 0.354 . . . . 10.0 110.576 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . 0.489 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 9.5 t-160 -87.58 132.25 34.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.252 0.549 . . . . 10.0 112.283 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -130.38 97.79 4.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.912 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.098 0.475 . . . . 10.0 111.166 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -134.31 114.02 12.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.4 mp -110.7 115.39 29.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.665 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' K' ' 18' ' ' VAL . 8.4 t -123.72 121.4 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.632 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 38.0 m-85 -120.54 124.71 46.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.493 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.38 125.51 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.194 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.49 96.34 4.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -100.62 86.51 3.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.541 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . 0.596 ' HA ' HD21 ' M' ' 27' ' ' ASN . 0.7 OUTLIER -80.22 119.49 23.05 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 80.4 t -120.03 -28.11 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.847 0.356 . . . . 10.0 111.685 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.2 -78.73 1.28 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.324 -0.941 . . . . 10.0 112.825 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -152.47 99.64 2.5 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . 0.645 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -52.88 147.65 8.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 10.0 112.176 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 15.2 tttm -137.98 -79.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.856 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 157.57 117.23 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.058 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -102.95 160.82 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.404 0.145 . . . . 10.0 110.678 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.616 HD13 ' HB ' ' K' ' 31' ' ' ILE . 2.8 mm -103.04 116.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.52 0.512 . . . . 10.0 110.044 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.856 ' HB ' HG22 ' K' ' 32' ' ' ILE . 86.9 mt -131.87 114.22 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.676 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . 0.638 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -109.97 119.43 5.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.488 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.3 mm? -109.3 97.03 6.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.619 ' HB2' ' HG3' ' M' ' 35' ' ' MET . 1.7 mpt? -117.5 92.45 3.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.297 0.57 . . . . 10.0 110.934 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' K' ' 36' ' ' VAL . 49.3 t -98.63 119.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.613 -0.722 . . . . 10.0 110.024 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -114.94 118.49 4.34 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.242 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.41 128.37 4.84 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' D' ' 33' ' ' GLY . 11.0 m -133.31 146.03 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.602 0.239 . . . . 10.0 110.454 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.451 HG13 HG13 ' K' ' 40' ' ' VAL . 7.1 p -155.67 138.7 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.097 0.475 . . . . 10.0 112.009 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 15.3 mm -74.76 125.37 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.302 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . 0.628 ' HB2' HG12 ' K' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' N' ' 11' ' ' GLU . 8.2 mp0 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.494 0.664 . . . . 10.0 110.049 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.26 144.11 13.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.246 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 3.7 t-160 -103.78 92.88 4.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.15 -1.056 . . . . 10.0 108.15 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.83 114.6 26.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.224 0.535 . . . . 10.0 111.83 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -119.4 102.17 8.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.493 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -112.71 116.98 30.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.064 0.459 . . . . 10.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.401 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 51.1 mt -121.09 111.4 17.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 t -130.08 130.42 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.127 0.489 . . . . 10.0 111.87 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' M' ' 34' ' ' LEU . 19.2 m-85 -124.01 129.08 50.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.775 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -107.82 109.47 21.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.44 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.33 105.66 13.12 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.54 138.43 49.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.528 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.66 147.33 51.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.641 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' N' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 22.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.837 178.388 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.16 -54.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.122 -1.037 . . . . 10.0 113.412 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -168.87 126.59 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.584 0.23 . . . . 10.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . 0.596 HD21 ' HA ' ' L' ' 23' ' ' ASP . 6.5 m120 -90.95 148.12 22.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.831 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 20.5 tttm -130.5 -95.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.067 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . 176.46 107.95 0.22 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.346 -0.93 . . . . 10.0 112.855 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.599 ' HA ' ' CA ' ' N' ' 29' ' ' GLY . . . -85.03 166.98 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD12 ' N' ' 31' ' ' ILE . 0.3 OUTLIER -121.22 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mt -114.25 122.61 68.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.932 0.396 . . . . 10.0 111.224 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.25 120.21 4.25 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.785 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' N' ' 34' ' ' LEU . 5.9 mp -113.47 101.63 9.54 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.619 ' HG3' ' HB2' ' L' ' 35' ' ' MET . 2.7 mpt? -122.91 103.7 8.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.363 0.601 . . . . 10.0 110.738 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.571 HG12 ' HB ' ' N' ' 36' ' ' VAL . 15.6 m -112.49 140.36 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.71 122.38 3.94 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.66 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.5 1.19 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.653 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' L' ' 39' ' ' VAL . 12.2 p -107.94 109.17 27.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 10.0 110.845 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 24.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.119 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' M' ' 11' ' ' GLU . 3.9 tp10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.171 0.51 . . . . 10.0 110.348 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . 0.701 ' HB ' HG12 ' O' ' 12' ' ' VAL . 3.1 t -104.28 109.87 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -86.66 127.68 34.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.732 0.301 . . . . 10.0 111.448 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.78 91.06 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' O' ' 15' ' ' GLN . 6.5 tt0 -106.46 119.4 39.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.347 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -133.64 121.69 22.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.397 0.618 . . . . 10.0 111.801 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.9 mp -116.0 114.25 24.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.036 -0.984 . . . . 10.0 108.892 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.713 ' HB ' HG12 ' O' ' 18' ' ' VAL . 16.2 t -121.71 115.69 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.644 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' O' ' 32' ' ' ILE . 18.1 m-85 -114.05 128.09 56.23 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.47 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -105.67 130.75 53.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.694 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.66 88.79 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.64 107.17 17.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.094 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . 0.872 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 42.2 m-20 -105.54 118.89 37.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.249 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.753 ' HA ' HG23 ' M' ' 24' ' ' VAL . 33.7 m -101.14 -5.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.0 -78.79 1.12 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.342 -0.933 . . . . 10.0 111.907 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.36 113.98 6.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 3.2 m120 -73.91 144.33 45.39 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' O' ' 28' ' ' LYS . 0.2 OUTLIER -124.98 -96.83 0.44 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.012 -0.275 . . . . 10.0 110.642 178.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' M' ' 30' ' ' ALA . . . 175.96 107.39 0.21 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.258 -0.972 . . . . 10.0 112.965 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.548 ' HA ' ' CA ' ' O' ' 29' ' ' GLY . . . -90.09 153.22 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.725 HD12 ' HB ' ' M' ' 31' ' ' ILE . 5.6 tp -101.26 102.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 10.0 110.401 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.429 HG12 HD12 ' O' ' 32' ' ' ILE . 29.2 mt -117.5 124.59 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.126 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . 0.452 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -125.38 117.52 2.98 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.514 -0.634 . . . . 10.0 111.514 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.649 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -109.06 103.8 12.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.463 ' HG2' ' CA ' ' F' ' 37' ' ' GLY . 2.1 mpp? -117.59 102.88 9.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.097 0.475 . . . . 10.0 111.24 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.571 ' HB ' HG12 ' M' ' 36' ' ' VAL . 54.3 t -112.57 125.47 69.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.978 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' F' ' 35' ' ' MET . . . -124.95 130.82 7.54 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.767 -0.73 . . . . 10.0 113.111 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.18 131.84 7.36 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.899 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' O' ' 39' ' ' VAL . 85.1 t -125.29 123.79 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 7.6 p -150.19 138.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 10.0 111.513 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.417 ' H ' HG13 ' N' ' 41' ' ' ILE . 3.2 mt -72.55 126.79 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.775 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.173 0.511 . . . . 10.0 110.788 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . 0.701 HG12 ' HB ' ' N' ' 12' ' ' VAL . 7.5 m -117.18 132.7 66.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.475 0.655 . . . . 10.0 112.643 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -97.4 95.67 7.83 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . 0.479 ' HB2' ' ND1' ' P' ' 14' ' ' HIS . 23.7 m170 -84.65 99.51 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.177 0.513 . . . . 10.0 112.209 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' HA ' ' N' ' 15' ' ' GLN . 4.1 tp60 -104.91 95.26 5.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -113.16 114.37 26.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 10.0 111.746 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.634 HD13 HD23 ' O' ' 34' ' ' LEU . 20.2 mt -121.98 116.4 24.25 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.713 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.9 m -132.75 137.49 53.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.097 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -111.18 101.99 10.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -108.38 119.44 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -124.26 130.33 52.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . 0.872 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 3.9 t70 -108.15 148.44 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.334 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 14.5 t -130.43 -29.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.348 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -117.36 -64.92 0.33 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.215 -0.993 . . . . 10.0 113.172 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -156.42 112.79 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.88 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 18.9 t-20 -77.0 154.31 33.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 10.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 57.2 tttp -123.63 -89.41 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.051 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.548 ' CA ' ' HA ' ' N' ' 30' ' ' ALA . . . 172.89 110.46 0.24 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.148 -1.025 . . . . 10.0 112.748 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.88 159.14 17.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.621 0.248 . . . . 10.0 110.562 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.902 HD12 ' HB ' ' P' ' 31' ' ' ILE . 16.0 mt -97.79 99.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.444 HG21 ' HE2' ' N' ' 19' ' ' PHE . 69.3 mt -110.52 108.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.841 0.353 . . . . 10.0 110.404 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . 0.534 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.03 114.35 2.58 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.214 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.634 HD23 HD13 ' O' ' 17' ' ' LEU . 8.9 mp -112.14 111.17 21.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.129 -0.323 . . . . 10.0 110.129 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.755 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 10.8 mmt -117.74 103.66 10.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.849 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 t -114.21 115.23 49.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.234 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . 0.767 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -126.86 124.66 5.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.54 134.7 7.14 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.305 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.786 HG12 ' HB ' ' N' ' 39' ' ' VAL . 32.1 m -121.93 139.75 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.941 0.401 . . . . 10.0 111.052 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.232 0.158 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 12' ' ' VAL . . . . . 0.593 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -77.22 141.2 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.545 179.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -60.78 120.02 9.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . 0.479 ' ND1' ' HB2' ' O' ' 14' ' ' HIS . 88.9 m-70 -117.91 111.08 18.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -114.93 127.42 55.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 10.0 111.183 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -134.57 115.71 14.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.25 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.84 119.96 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.973 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . 0.439 HG13 HG23 ' O' ' 18' ' ' VAL . 12.1 t -126.36 123.33 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.613 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -125.32 130.45 52.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.882 0.372 . . . . 10.0 110.844 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -108.46 136.68 47.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.998 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -147.7 94.02 2.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.89 152.01 27.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.073 0.463 . . . . 10.0 111.428 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -123.31 155.88 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.602 -0.727 . . . . 10.0 109.838 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.0 OUTLIER -137.81 12.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.674 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -167.0 -67.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.934 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -133.2 97.93 4.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.775 0.322 . . . . 10.0 110.299 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.88 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 9.0 t-20 -68.87 141.82 54.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.716 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -126.76 -75.29 0.58 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.169 0.509 . . . . 10.0 109.872 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.76 128.41 3.98 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.923 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.91 172.24 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.902 ' HB ' HD12 ' O' ' 31' ' ' ILE . 0.0 OUTLIER -91.53 112.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.137 0.494 . . . . 10.0 110.612 179.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mt -120.54 109.68 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.42 118.96 4.28 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.86 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.44 108.32 18.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.877 0.37 . . . . 10.0 110.238 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.659 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 3.7 mpp? -108.07 105.54 15.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.806 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -106.11 129.61 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.828 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . 0.705 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -136.19 134.97 7.48 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.694 -0.765 . . . . 10.0 112.472 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.81 136.99 8.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.919 -0.658 . . . . 10.0 111.989 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.528 ' HB ' HD11 ' H' ' 31' ' ' ILE . 2.8 m -130.32 138.81 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.519 0.2 . . . . 10.0 110.843 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.88 160.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 pt -89.06 -175.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.633 0.254 . . . . 10.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.207 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.935 0.397 . . . . 10.0 111.699 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.82 115.54 17.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 24.7 m170 -99.04 94.28 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 10.0 110.729 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' B' ' 15' ' ' GLN . 58.4 tp60 -105.38 123.86 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.714 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -140.04 131.55 27.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 10.0 111.961 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 17' ' ' LEU . 2.1 mt -126.3 104.07 8.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.425 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -115.52 121.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.455 0.645 . . . . 10.0 112.548 -178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -115.77 114.63 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.316 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.41 114.25 27.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.798 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.5 136.48 51.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.59 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.8 mm-40 -83.41 173.94 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.571 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.67 ' HA ' HD21 ' B' ' 27' ' ' ASN . 36.2 t70 -156.79 77.45 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.074 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.723 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 23.8 t -109.92 -42.16 5.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.966 0.412 . . . . 10.0 110.465 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.61 -154.02 29.7 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.841 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 116.77 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 148.13 38.46 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 9.9 tptm -153.17 -146.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.006 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.42 127.18 2.05 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 119.927 -1.13 . . . . 10.0 113.346 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -81.64 150.42 28.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 10.0 110.727 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG12 ' B' ' 31' ' ' ILE . 21.2 mm -100.81 92.37 2.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.267 0.556 . . . . 10.0 110.025 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.639 HG22 ' HB ' ' B' ' 32' ' ' ILE . 15.7 pt -110.21 130.12 64.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.478 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.55 95.92 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' B' ' 34' ' ' LEU . 6.3 mp -91.79 101.75 14.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.319 . . . . 10.0 110.96 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -126.39 75.89 1.57 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.189 0.519 . . . . 10.0 110.474 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -83.67 114.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.197 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.56 118.66 5.87 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.48 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.06 119.44 1.72 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.542 -1.023 . . . . 10.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.58 130.79 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.562 0.696 . . . . 10.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' B' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.168 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.455 ' HD2' ' HB ' ' C' ' 12' ' ' VAL . 70.7 m-70 . . . . . 0 C--O 1.236 0.394 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' C' ' 15' ' ' GLN . 9.1 tt0 -107.51 125.73 51.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.15 0.5 . . . . 10.0 111.437 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -135.1 123.04 22.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.354 0.597 . . . . 10.0 111.407 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 7.3 mp -110.67 116.18 30.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.153 -0.931 . . . . 10.0 109.154 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.3 t -117.39 122.23 69.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.351 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -122.69 118.22 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.34 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -106.89 115.95 31.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.823 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.17 114.92 20.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 62.7 mt-10 -89.9 158.88 17.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.782 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 5.9 m-20 -147.99 56.83 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.723 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 27.6 t -78.6 -20.37 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.117 0.485 . . . . 10.0 111.266 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.54 -64.26 1.01 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.264 -0.97 . . . . 10.0 111.484 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.422 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 68.9 p -167.29 119.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.67 HD21 ' HA ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -61.36 152.1 30.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.315 0.384 . . . . 10.0 110.175 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.712 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -144.76 -95.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 121.067 -0.253 . . . . 10.0 111.673 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 171.43 95.55 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 119.716 -1.23 . . . . 10.0 113.007 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.63 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -83.4 147.35 27.93 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.759 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -96.72 116.79 39.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.879 0.847 . . . . 10.0 109.817 179.466 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 32' ' ' ILE . 37.8 mt -129.26 119.33 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.209 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.19 120.6 6.22 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 1.9 mm? -115.02 86.79 2.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.514 ' HG2' ' HA2' ' J' ' 37' ' ' GLY . 2.1 mpt? -116.2 88.69 2.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.395 0.617 . . . . 10.0 111.484 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 t -91.6 135.29 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.292 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.539 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.45 103.19 0.96 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.85 -0.691 . . . . 10.0 112.782 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.17 102.85 1.5 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.506 ' HB ' HG23 ' C' ' 39' ' ' VAL . 3.9 t -111.89 116.75 53.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.567 0.222 . . . . 10.0 110.494 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 40' ' ' VAL . 46.0 t -125.92 132.04 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.586 0.232 . . . . 10.0 110.514 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.54 136.68 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.86 0.362 . . . . 10.0 110.493 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.032 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.671 0.748 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.455 ' HB ' ' HD2' ' B' ' 14' ' ' HIS . 7.3 m -91.11 115.62 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.907 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -75.15 98.41 3.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.482 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . 0.434 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.2 m170 -89.26 104.57 17.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.283 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HB3' ' HG3' ' B' ' 15' ' ' GLN . 5.6 tt0 -114.35 103.18 10.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.305 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -114.22 119.71 37.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.924 0.392 . . . . 10.0 111.87 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.555 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 48.9 mt -120.5 112.71 19.29 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.359 -0.978 . . . . 10.0 108.359 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.689 HG13 HG13 ' D' ' 18' ' ' VAL . 7.1 p -132.24 130.97 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.505 0.669 . . . . 10.0 112.61 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.588 ' HE2' HD11 ' D' ' 32' ' ' ILE . 11.1 m-85 -119.98 127.91 53.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.145 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -108.31 113.01 25.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.696 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.66 113.7 20.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 10.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 51.5 mt-10 -103.33 151.91 22.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.218 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.435 ' HB2' HD21 ' D' ' 27' ' ' ASN . 4.4 t0 -141.03 114.93 9.08 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.362 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.0 7.55 4.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -129.4 -62.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.896 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.2 p -172.75 92.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.721 0.261 . . . . 10.0 110.898 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -55.68 143.94 28.72 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.494 0.496 . . . . 10.0 111.648 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.712 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 32.8 ttmt -128.59 -105.12 0.31 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.63 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -166.45 109.94 0.38 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.245 -0.979 . . . . 10.0 113.129 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.577 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -83.85 164.77 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' D' ' 31' ' ' ILE . 1.7 mt -120.65 88.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.568 HG22 HG12 ' D' ' 32' ' ' ILE . 23.9 pt -115.58 127.24 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.08 0.466 . . . . 10.0 111.853 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.52 115.68 3.0 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.723 -0.751 . . . . 10.0 111.947 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.506 HD23 HD13 ' C' ' 17' ' ' LEU . 6.7 mp -105.96 103.67 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.422 . . . . 10.0 110.482 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.4 mpp? -123.86 89.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.023 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' D' ' 36' ' ' VAL . 40.1 t -98.17 113.16 32.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.01 119.96 5.2 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.669 -0.776 . . . . 10.0 112.891 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.1 120.79 3.01 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' B' ' 39' ' ' VAL . 13.4 p -117.75 119.75 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.494 0.664 . . . . 10.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.678 -179.312 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.384 0.135 . . . . 10.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.51 134.36 25.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.723 0.297 . . . . 10.0 111.033 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 1.0 OUTLIER -84.38 130.86 34.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 71.7 m-70 -132.72 89.99 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.075 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 25.4 pt20 -113.05 137.1 51.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.596 0.712 . . . . 10.0 112.451 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -138.12 119.61 14.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.741 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 mp -112.64 118.15 34.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' E' ' 18' ' ' VAL . 7.6 t -123.84 125.41 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.026 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.77 124.45 47.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.329 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.72 122.97 46.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.086 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.32 105.05 8.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -108.16 79.95 1.31 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.423 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.6 OUTLIER -75.53 114.81 14.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.63 -19.97 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.137 0.494 . . . . 10.0 111.209 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -95.53 -83.03 1.63 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.437 -0.887 . . . . 10.0 112.615 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.435 ' C ' HD22 ' E' ' 27' ' ' ASN . 41.9 m -144.16 100.14 3.5 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.435 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.8 OUTLIER -52.21 148.94 5.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.291 -178.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.863 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 58.8 tttm -138.82 -81.46 0.31 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.649 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.577 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 149.97 113.99 0.67 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.921 -1.133 . . . . 10.0 113.724 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.715 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -82.47 158.49 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.795 HG12 ' HB ' ' C' ' 31' ' ' ILE . 0.1 OUTLIER -116.57 103.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 122.128 0.966 . . . . 10.0 110.119 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.588 HD11 ' HE2' ' C' ' 19' ' ' PHE . 45.7 pt -129.92 147.13 33.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.687 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' L' ' 39' ' ' VAL . . . -125.43 125.63 5.67 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.335 -0.848 . . . . 10.0 111.832 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -105.88 95.6 5.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.599 ' HG2' ' HA2' ' L' ' 37' ' ' GLY . 2.7 mpt? -116.39 104.45 11.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.172 0.51 . . . . 10.0 111.489 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' C' ' 36' ' ' VAL . 26.9 t -106.51 128.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.276 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.544 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -119.1 115.68 3.13 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.713 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.25 125.77 6.18 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.11 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' E' ' 39' ' ' VAL . 58.8 t -128.8 125.35 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -146.56 136.21 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.949 0.405 . . . . 10.0 111.928 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.414 ' HB ' HG21 ' L' ' 31' ' ' ILE . 0.0 OUTLIER -83.89 135.42 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.413 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.246 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.66 ' HG3' ' HG2' ' F' ' 11' ' ' GLU . 1.7 mp0 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.53 0.681 . . . . 10.0 110.542 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -74.73 141.6 15.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.121 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 3.4 t60 -95.9 88.81 5.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.289 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -81.75 115.27 20.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.747 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 45.3 tt0 -132.0 106.34 7.97 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.967 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -126.91 126.89 44.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.085 0.469 . . . . 10.0 111.915 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.691 HD22 HD23 ' E' ' 34' ' ' LEU . 4.2 mp -125.45 118.76 26.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -128.83 128.67 67.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.137 0.494 . . . . 10.0 112.075 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.47 124.57 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.316 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -106.28 114.12 28.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.001 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 106.48 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -110.88 132.74 53.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.283 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.68 145.13 48.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.756 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -138.32 5.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.064 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' F' ' 25' ' ' GLY . . . -137.86 -64.05 0.05 OUTLIER Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.014 -1.088 . . . . 10.0 113.777 -177.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -157.76 130.53 7.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.435 HD22 ' C ' ' D' ' 26' ' ' SER . 5.3 m-80 -91.76 149.4 21.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.964 0.412 . . . . 10.0 111.45 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.863 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 58.0 mttt -130.2 -105.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.286 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -170.93 109.35 0.31 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.037 -1.078 . . . . 10.0 113.05 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.508 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -81.55 150.09 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' F' ' 31' ' ' ILE . 1.1 mt -110.87 94.55 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB ' ' F' ' 32' ' ' ILE . 21.3 mt -120.2 127.15 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.957 0.408 . . . . 10.0 111.107 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.39 113.85 2.81 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.047 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.691 HD23 HD22 ' E' ' 17' ' ' LEU . 7.0 mp -102.61 102.79 13.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.778 ' HG3' ' HG3' ' F' ' 35' ' ' MET . 0.0 OUTLIER -126.12 91.02 3.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.496 0.665 . . . . 10.0 111.152 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.543 HG12 ' HB ' ' F' ' 36' ' ' VAL . 4.0 m -106.01 130.48 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.084 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' SD ' ' M' ' 35' ' ' MET . . . -131.1 136.87 9.07 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.307 -0.949 . . . . 10.0 113.035 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.06 126.6 3.58 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.99 -0.624 . . . . 10.0 111.647 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.456 HG23 ' HB ' ' D' ' 39' ' ' VAL . 11.7 p -120.13 117.28 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.413 0.625 . . . . 10.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' F' ' 42' ' ' ALA . 22.1 t . . . . . 0 C--O 1.236 0.393 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.564 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.66 ' HG2' ' HG3' ' E' ' 11' ' ' GLU . 3.7 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.013 0.435 . . . . 10.0 110.155 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.907 ' HB ' HG12 ' G' ' 12' ' ' VAL . 14.2 t -92.29 103.49 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -77.04 127.23 32.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.82 0.343 . . . . 10.0 111.443 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -125.86 89.5 3.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.758 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.41 116.14 31.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.99 0.424 . . . . 10.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -132.24 121.17 23.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.267 0.556 . . . . 10.0 111.997 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.41 116.18 27.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.208 -0.905 . . . . 10.0 109.22 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.857 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.9 t -121.15 120.87 63.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.818 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -120.85 123.25 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.37 131.13 52.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.29 90.15 2.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 10.0 109.838 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.63 105.99 15.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.909 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 16.8 m-20 -106.79 117.3 33.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.709 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' G' ' 24' ' ' VAL . 27.8 m -100.88 15.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 10.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' E' ' 25' ' ' GLY . . . -122.57 -87.43 0.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.318 -0.713 . . . . 10.0 111.318 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -144.16 100.05 3.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 1.2 m120 -62.66 128.47 36.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.789 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.59 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 0.3 OUTLIER -109.7 -61.71 1.6 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 133.04 120.73 2.15 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.356 -0.926 . . . . 10.0 113.043 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -95.39 165.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.604 HG12 HG13 ' N' ' 39' ' ' VAL . 8.7 tt -112.84 112.27 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.648 0.737 . . . . 10.0 111.249 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.615 ' HB ' HG23 ' E' ' 32' ' ' ILE . 19.4 mt -119.86 126.82 75.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.307 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.99 2.67 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.782 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -101.37 98.19 8.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.811 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 2.1 mpt? -117.41 93.41 4.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.907 0.384 . . . . 10.0 110.836 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.543 ' HB ' HG12 ' E' ' 36' ' ' VAL . 44.3 t -110.65 130.11 64.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.743 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -132.44 135.07 7.91 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.61 -0.805 . . . . 10.0 113.057 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.45 132.4 6.76 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.013 -0.613 . . . . 10.0 112.06 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.591 ' HB ' HG12 ' G' ' 39' ' ' VAL . 40.2 t -123.48 131.03 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.3 p -153.06 132.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 10.0 111.869 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . 0.421 HG23 HG12 ' O' ' 31' ' ' ILE . 7.5 pt -72.57 139.42 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.715 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.55 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . 0.406 ' C ' HG11 ' H' ' 12' ' ' VAL . 14.7 mm-40 . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.027 0.441 . . . . 10.0 110.264 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.907 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.6 m -116.93 134.7 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.458 0.647 . . . . 10.0 112.532 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -96.27 93.21 6.76 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -84.77 104.74 15.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.131 0.491 . . . . 10.0 111.508 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -113.22 94.19 4.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -111.33 117.87 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.623 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 mt -120.88 116.4 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.9 m -129.31 131.83 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.05 123.6 38.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.402 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -105.32 114.92 29.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.02 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -118.15 126.59 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.024 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -130.11 140.47 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.125 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.456 ' O ' HG22 ' F' ' 24' ' ' VAL . 6.4 t70 -130.42 132.26 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' F' ' 24' ' ' VAL . 26.7 t -120.2 1.4 7.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.352 0.596 . . . . 10.0 109.98 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.44 -69.39 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.044 -1.074 . . . . 10.0 113.327 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -153.78 103.18 2.58 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.468 -0.431 . . . . 10.0 110.939 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.756 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 19.7 t-20 -58.53 142.28 49.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -123.31 -59.68 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.095 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 123.64 123.54 2.82 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.99 -1.1 . . . . 10.0 112.775 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -102.01 172.17 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.622 0.249 . . . . 10.0 110.854 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.455 HG12 HG23 ' N' ' 41' ' ' ILE . 16.3 mt -103.72 101.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 108.573 -0.899 . . . . 10.0 108.573 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mt -113.11 112.63 41.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.762 0.315 . . . . 10.0 110.442 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -117.02 123.5 5.82 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.461 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -121.94 104.65 9.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.694 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 0.0 OUTLIER -121.62 106.45 11.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.47 0.653 . . . . 10.0 111.047 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' H' ' 36' ' ' VAL . 45.8 t -114.38 124.44 71.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.09 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.917 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -132.69 123.62 3.57 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.27 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.26 135.2 7.32 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.55 -0.833 . . . . 10.0 112.468 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.591 HG12 ' HB ' ' F' ' 39' ' ' VAL . 14.9 m -119.11 138.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.852 0.358 . . . . 10.0 110.56 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.064 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.15 138.33 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.757 0.313 . . . . 10.0 110.925 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.42 125.21 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -118.77 108.0 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.873 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -111.61 130.62 55.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.383 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -137.99 111.26 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.422 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.426 HD23 ' HG ' ' H' ' 34' ' ' LEU . 7.3 mp -117.7 116.31 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.08 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -122.86 128.24 75.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.369 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -130.93 137.44 49.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.529 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -116.06 112.19 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 10.0 111.935 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -118.07 82.47 1.84 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -102.93 154.73 18.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.013 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -140.81 149.29 41.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.901 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -130.91 10.06 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.776 0.322 . . . . 10.0 110.59 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.96 -56.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.417 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -156.81 102.75 2.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.749 0.275 . . . . 10.0 110.62 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.756 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 27.4 t-20 -53.86 135.72 41.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.755 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 32.5 tttp -116.42 -158.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.756 0.312 . . . . 10.0 110.708 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.755 ' H ' ' HG2' ' H' ' 28' ' ' LYS . . . -135.13 98.61 0.3 Allowed Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 121.14 -0.552 . . . . 10.0 111.897 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.41 156.51 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.94 116.17 46.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 10.0 111.108 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 38.3 mt -127.47 121.75 57.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.876 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.16 123.94 4.58 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.404 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' H' ' 17' ' ' LEU . 2.7 mm? -113.19 102.44 10.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.398 . . . . 10.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.625 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 1.7 mpt? -105.54 104.46 14.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.144 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' G' ' 36' ' ' VAL . 48.8 t -109.18 127.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.95 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' P' ' 35' ' ' MET . . . -137.0 151.35 20.96 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.493 -0.861 . . . . 10.0 112.953 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.38 132.79 2.96 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.891 -0.484 . . . . 10.0 111.891 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.533 HG11 ' HA3' ' P' ' 33' ' ' GLY . 34.8 m -125.05 129.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 10.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 13.7 p . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 120.581 0.229 . . . . 10.0 110.698 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 108.137 -1.06 . . . . 10.0 108.137 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.449 ' HB2' ' ND1' ' J' ' 14' ' ' HIS . 52.1 m170 -90.11 79.17 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.087 0.47 . . . . 10.0 112.027 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.471 ' OE1' ' HB3' ' J' ' 15' ' ' GLN . 61.9 tp60 -87.7 122.92 31.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.414 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -136.9 130.38 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.977 0.418 . . . . 10.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' J' ' 17' ' ' LEU . 8.0 mt -125.44 106.75 10.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.42 HG23 HG13 ' J' ' 18' ' ' VAL . 0.8 OUTLIER -117.98 120.35 64.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -178.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.91 117.95 32.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.596 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -112.78 113.46 25.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.949 0.404 . . . . 10.0 111.002 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.01 134.9 54.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.688 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 2.4 mt-10 -85.84 176.36 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.91 0.386 . . . . 10.0 110.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . 0.621 ' HA ' HD21 ' J' ' 27' ' ' ASN . 32.0 t70 -156.02 78.14 0.96 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.61 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.786 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.0 t -109.33 -40.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.864 0.364 . . . . 10.0 110.442 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -92.05 -147.68 21.06 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.082 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.95 116.06 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.96 150.08 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.376 0.51 . . . . 10.0 112.376 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -164.95 -167.91 1.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.457 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.52 132.74 6.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.678 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.756 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.37 147.75 26.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.703 0.287 . . . . 10.0 110.383 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.507 ' HB ' HG12 ' J' ' 31' ' ' ILE . 27.2 mm -96.82 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.17 0.509 . . . . 10.0 110.121 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.578 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.5 pt -110.53 131.98 60.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.429 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 100.08 0.83 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.174 -0.77 . . . . 10.0 111.174 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.494 HD23 HD13 ' I' ' 17' ' ' LEU . 6.0 mp -96.3 99.17 10.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 10.0 111.101 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -124.05 79.26 1.71 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.194 0.521 . . . . 10.0 110.471 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' J' ' 36' ' ' VAL . 40.1 t -86.59 114.89 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.889 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.53 111.13 3.35 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.362 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.23 112.98 1.36 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.751 -0.94 . . . . 10.0 110.751 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.98 131.17 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.46 0.647 . . . . 10.0 111.983 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' J' ' 40' ' ' VAL . 59.5 t . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.294 -0.866 . . . . 10.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.449 ' ND1' ' HB2' ' I' ' 14' ' ' HIS . 64.5 m-70 . . . . . 0 C--O 1.234 0.276 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.471 ' HB3' ' OE1' ' I' ' 15' ' ' GLN . 9.1 tt0 -103.35 123.89 47.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 10.0 111.71 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -129.54 123.6 31.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.505 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.3 mp -112.76 117.26 31.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.293 179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.0 t -119.03 122.97 70.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.4 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -123.05 116.79 24.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.901 0.382 . . . . 10.0 111.25 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.98 114.09 28.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.052 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.2 115.36 21.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' HG3' ' I' ' 22' ' ' GLU . 58.4 mt-10 -95.71 156.08 16.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.586 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.0 m-20 -143.91 59.07 1.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.786 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 41.4 t -77.36 -21.89 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 10.0 111.183 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.68 -63.28 1.11 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.151 -1.023 . . . . 10.0 111.223 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.7 p -169.17 124.16 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.621 HD21 ' HA ' ' I' ' 23' ' ' ASP . 0.8 OUTLIER -64.62 154.17 37.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.37 0.419 . . . . 10.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 8.5 tptt -145.82 -91.18 0.1 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.133 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.756 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.47 93.19 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 119.915 -1.136 . . . . 10.0 112.862 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.685 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -81.41 148.58 29.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' K' ' 31' ' ' ILE . 0.4 OUTLIER -97.69 117.16 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.723 0.773 . . . . 10.0 109.774 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.578 ' HB ' HG22 ' I' ' 32' ' ' ILE . 35.2 mt -129.19 119.83 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.865 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -108.45 118.72 5.45 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' I' ' 34' ' ' LEU . 1.8 mm? -112.92 88.22 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.539 ' HG2' ' HA2' ' B' ' 37' ' ' GLY . 2.2 mpt? -116.14 88.64 2.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.448 0.642 . . . . 10.0 111.275 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.4 ' HB ' HG13 ' I' ' 36' ' ' VAL . 40.5 t -92.62 133.04 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.572 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 0.514 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.48 105.17 1.18 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.768 -0.73 . . . . 10.0 112.575 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.46 105.74 1.78 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.082 -0.807 . . . . 10.0 111.082 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.451 HG12 HG23 ' B' ' 31' ' ' ILE . 2.6 t -113.15 116.23 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.748 0.309 . . . . 10.0 110.708 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.524 ' HB ' HG22 ' I' ' 40' ' ' VAL . 46.4 t -125.37 128.58 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.622 0.248 . . . . 10.0 110.534 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' B' ' 31' ' ' ILE . 8.1 tp -66.85 127.76 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.159 0.504 . . . . 10.0 111.437 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.408 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.593 0.711 . . . . 10.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . 0.437 ' HB ' ' HD2' ' J' ' 14' ' ' HIS . 14.4 m -92.35 119.61 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.961 -1.018 . . . . 10.0 111.672 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.07 93.94 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.343 -0.844 . . . . 10.0 108.999 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . 0.52 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 0.2 OUTLIER -85.88 96.04 9.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.143 0.497 . . . . 10.0 111.333 -179.684 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -104.9 106.64 17.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.116 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 88.5 tttt -117.18 122.54 44.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.038 0.447 . . . . 10.0 112.189 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 41.8 mt -122.38 113.89 20.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.699 HG13 HG13 ' L' ' 18' ' ' VAL . 7.6 p -133.37 132.32 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.504 0.669 . . . . 10.0 112.563 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.513 ' HE2' HD11 ' L' ' 32' ' ' ILE . 10.9 m-85 -121.17 128.27 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.23 107.22 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.27 32.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 28.2 mt-10 -110.53 149.26 30.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.043 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' J' ' 24' ' ' VAL . 4.2 t0 -137.14 116.91 13.07 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.405 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.98 15.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.27 -58.78 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.47 -0.871 . . . . 10.0 112.781 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.09 95.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.405 0.282 . . . . 10.0 110.671 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.55 149.62 25.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.973 0.416 . . . . 10.0 111.632 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.725 ' HD2' ' HA ' ' L' ' 28' ' ' LYS . 31.1 ttmt -133.51 -111.5 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.169 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -160.91 106.95 0.3 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.081 -1.057 . . . . 10.0 113.203 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.593 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.3 162.12 22.38 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.757 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.0 OUTLIER -117.83 87.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 179.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.533 HG22 HG12 ' L' ' 32' ' ' ILE . 25.9 pt -113.71 126.16 71.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 10.0 111.789 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.83 117.3 3.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 10.0 112.045 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.498 HD23 HD13 ' K' ' 17' ' ' LEU . 6.6 mp -108.64 102.23 11.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.82 0.343 . . . . 10.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.5 mpp? -121.82 87.98 2.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.323 0.582 . . . . 10.0 111.144 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' L' ' 36' ' ' VAL . 41.7 t -96.33 114.96 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.499 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.01 124.26 6.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.466 -0.873 . . . . 10.0 113.004 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.62 123.46 3.36 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.113 -0.565 . . . . 10.0 111.784 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' C' ' 31' ' ' ILE . 8.2 p -119.16 119.35 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.387 0.613 . . . . 10.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.618 -179.624 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' M' ' 11' ' ' GLU . 6.2 tp10 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.409 0.147 . . . . 10.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 p -156.58 140.73 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.58 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . 0.561 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 1.4 t60 -81.43 131.67 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.265 0.555 . . . . 10.0 111.989 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . 0.52 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 40.2 m-70 -132.61 86.99 2.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.598 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 19.9 pt20 -110.8 135.31 51.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.499 0.666 . . . . 10.0 112.554 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 38.8 ttpt -136.99 120.12 16.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.43 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.54 120.54 41.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.848 -0.614 . . . . 10.0 109.404 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.808 ' HB ' HG12 ' M' ' 18' ' ' VAL . 10.5 t -125.27 126.24 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.15 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 33.6 m-85 -119.79 125.64 49.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.181 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -106.65 121.93 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 101.06 6.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.55 80.85 1.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.51 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -77.05 112.72 14.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.981 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.04 -24.55 3.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.774 0.321 . . . . 10.0 110.888 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -90.96 -79.21 1.38 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.688 -0.768 . . . . 10.0 113.041 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . 0.467 ' C ' HD22 ' M' ' 27' ' ' ASN . 58.9 m -153.66 101.33 2.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 110.594 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -51.29 149.07 4.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.995 -1.002 . . . . 10.0 113.282 -178.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 44.6 tttm -137.24 -86.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.289 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . 0.593 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 159.2 113.6 0.35 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.401 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -88.54 156.04 19.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' K' ' 31' ' ' ILE . 4.6 tp -112.13 102.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.562 0.696 . . . . 10.0 110.435 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.533 HG12 HG22 ' K' ' 32' ' ' ILE . 41.7 pt -128.99 142.45 44.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.436 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.21 124.24 5.41 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.958 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' K' ' 34' ' ' LEU . 2.5 mm? -104.41 90.67 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.544 ' HG2' ' HA2' ' D' ' 37' ' ' GLY . 3.2 mpp? -111.3 106.59 15.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 111.604 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.525 ' HB ' HG13 ' K' ' 36' ' ' VAL . 24.3 t -107.93 130.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.63 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.599 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -118.61 109.48 1.76 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.696 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.36 120.83 5.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.035 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.445 HG22 ' HA3' ' D' ' 33' ' ' GLY . 42.5 t -125.44 119.61 55.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.67 134.73 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 10.0 112.272 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.92 136.92 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.388 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.371 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' L' ' 11' ' ' GLU . 2.0 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.274 0.559 . . . . 10.0 110.477 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -72.24 148.2 9.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.399 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . 0.561 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 4.3 t60 -98.32 91.2 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.338 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.34 110.68 18.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.197 0.522 . . . . 10.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 47.0 tt0 -127.43 108.5 10.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.551 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -129.46 125.86 37.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.035 0.445 . . . . 10.0 111.391 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.709 HD22 HD23 ' M' ' 34' ' ' LEU . 4.3 mp -125.34 118.07 25.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.914 -0.773 . . . . 10.0 108.914 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.808 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.3 m -127.45 128.05 69.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.336 0.589 . . . . 10.0 112.106 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.56 121.17 37.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.652 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -102.32 119.04 38.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.689 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.41 102.88 7.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.467 . . . . 10.0 109.749 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -106.65 136.85 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.292 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.59 143.19 50.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.053 0.454 . . . . 10.0 111.08 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.95 4.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.503 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -129.78 -79.83 0.23 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.461 -0.876 . . . . 10.0 113.236 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 124.95 12.6 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . 0.467 HD22 ' C ' ' L' ' 26' ' ' SER . 4.7 m-80 -82.94 148.57 27.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.058 0.456 . . . . 10.0 111.557 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.921 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 65.2 mttt -132.29 -102.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.376 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . 0.528 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 179.37 114.41 0.42 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.938 -1.125 . . . . 10.0 113.024 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.482 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -85.09 156.32 21.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' N' ' 31' ' ' ILE . 1.2 mt -113.24 92.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.531 HG23 ' HB ' ' N' ' 32' ' ' ILE . 20.8 mt -118.2 125.38 74.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.02 110.5 2.1 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.984 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.709 HD23 HD22 ' M' ' 17' ' ' LEU . 7.0 mp -97.98 105.99 18.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' N' ' 35' ' ' MET . 0.0 OUTLIER -127.94 87.85 2.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.56 0.695 . . . . 10.0 111.124 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' N' ' 36' ' ' VAL . 3.6 m -105.02 129.7 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.249 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . 0.582 ' HA3' ' SD ' ' E' ' 35' ' ' MET . . . -130.71 145.43 16.81 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.921 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.21 124.12 1.97 Allowed Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 121.123 -0.56 . . . . 10.0 111.932 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -116.32 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.355 0.597 . . . . 10.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.854 -179.44 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' O' ' 11' ' ' GLU . 1.3 tp10 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.186 0.517 . . . . 10.0 109.896 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . 0.822 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -89.17 111.09 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -84.07 126.68 33.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.657 0.265 . . . . 10.0 111.176 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -124.67 94.17 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -112.34 113.05 25.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 10.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -129.23 117.93 21.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.338 0.589 . . . . 10.0 112.027 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.52 115.61 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.072 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' O' ' 18' ' ' VAL . 6.7 t -121.19 118.65 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.981 0.419 . . . . 10.0 110.706 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -117.87 125.8 51.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.64 125.84 51.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.554 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 89.6 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.91 110.0 20.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.816 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 29.9 m-20 -112.52 119.48 38.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 10.0 110.868 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' O' ' 24' ' ' VAL . 18.3 m -101.07 3.29 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . 0.521 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -108.18 -84.53 1.64 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.558 -0.829 . . . . 10.0 111.782 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 84.5 p -149.31 101.85 3.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.48 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 1.5 m120 -60.65 138.82 58.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.261 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' O' ' 27' ' ' ASN . 0.3 OUTLIER -121.25 -67.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 138.66 119.93 1.77 Allowed Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.031 -1.081 . . . . 10.0 113.192 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.467 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' M' ' 31' ' ' ILE . 9.8 tt -113.42 112.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.562 0.696 . . . . 10.0 111.299 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.531 ' HB ' HG23 ' M' ' 32' ' ' ILE . 23.2 mt -120.65 125.53 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.471 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.14 116.82 4.21 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.269 -0.732 . . . . 10.0 111.269 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' M' ' 34' ' ' LEU . 2.6 mm? -105.58 94.97 5.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' M' ' 35' ' ' MET . 2.5 mpt? -115.11 92.21 3.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.119 0.485 . . . . 10.0 111.117 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' M' ' 36' ' ' VAL . 44.2 t -112.75 125.36 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.811 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -130.02 139.98 11.38 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.923 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.55 137.58 9.45 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 10.0 111.936 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.726 ' HB ' HG12 ' O' ' 39' ' ' VAL . 44.3 t -127.04 129.78 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.6 p -150.18 129.5 3.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.061 0.458 . . . . 10.0 111.982 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.455 HG23 HG12 ' G' ' 31' ' ' ILE . 6.5 pt -68.66 138.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.016 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.268 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' N' ' 11' ' ' GLU . 18.3 mm-40 . . . . . 0 C--O 1.235 0.308 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . 0.822 HG12 ' HB ' ' N' ' 12' ' ' VAL . 17.3 m -113.82 131.53 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -96.49 99.15 10.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -89.47 106.49 18.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.747 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -115.07 94.47 4.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' O' ' 16' ' ' LYS . 4.8 tmmm? -112.52 117.99 33.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.514 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.57 118.1 29.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.128 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' N' ' 18' ' ' VAL . 3.1 m -130.63 133.19 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.477 0.656 . . . . 10.0 112.699 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.04 120.88 30.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.778 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -102.99 112.08 24.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.01 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -123.13 123.62 41.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.08 134.45 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.639 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . 0.419 ' O ' HG22 ' N' ' 24' ' ' VAL . 5.4 t70 -113.69 140.62 48.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.556 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.547 ' HA ' HG22 ' N' ' 24' ' ' VAL . 92.4 t -120.86 -8.02 10.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 10.0 109.599 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -122.62 -69.76 0.24 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.291 -0.957 . . . . 10.0 113.537 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 59.4 m -156.7 104.78 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.519 0.2 . . . . 10.0 111.011 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.85 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.5 t-20 -57.84 143.84 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' P' ' 28' ' ' LYS . 54.6 tttp -124.83 -62.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.379 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 124.05 122.64 2.71 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.401 -0.904 . . . . 10.0 113.016 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' CA ' ' P' ' 29' ' ' GLY . . . -98.17 174.91 6.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.361 0.264 . . . . 10.0 110.761 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' P' ' 31' ' ' ILE . 15.2 mt -109.75 100.31 10.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 19.5 mt -112.33 117.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.52 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.37 121.04 4.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.024 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.91 104.66 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.917 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 4.3 mpp? -117.51 105.98 12.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.625 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' N' ' 36' ' ' VAL . 48.2 t -116.73 121.12 67.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . 0.694 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -131.45 118.23 2.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.18 137.35 9.3 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.6 -0.81 . . . . 10.0 112.583 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.726 HG12 ' HB ' ' N' ' 39' ' ' VAL . 33.0 m -122.6 136.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 10.0 110.63 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.966 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.238 0.466 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 12' ' ' VAL . . . . . 0.516 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -60.22 136.96 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.225 0.328 . . . . 10.0 110.791 179.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -62.56 128.18 34.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -120.86 113.94 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.056 -0.974 . . . . 10.0 108.857 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -117.82 125.85 51.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.244 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -132.73 112.38 11.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.359 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.52 HD23 ' HG ' ' P' ' 34' ' ' LEU . 7.2 mp -118.76 112.2 19.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.03 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -119.82 120.13 62.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.466 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.92 143.69 50.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.675 0.274 . . . . 10.0 110.898 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.52 126.13 48.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.501 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -131.88 84.29 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.359 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.47 165.11 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.727 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -150.75 147.36 27.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.117 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.1 t -128.16 2.78 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.778 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . 0.556 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -136.7 -56.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.436 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 62.4 m -157.83 107.46 2.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.777 0.323 . . . . 10.0 110.19 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.85 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 28.4 t-20 -54.68 139.5 38.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.853 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' P' ' 29' ' ' GLY . 30.9 tttp -119.95 -153.87 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . 0.56 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . -146.65 113.22 0.65 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.408 -0.677 . . . . 10.0 111.408 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 170.17 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.664 0.269 . . . . 10.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.458 HD13 ' HB ' ' O' ' 31' ' ' ILE . 1.7 mm -99.58 114.57 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.461 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.1 mt -129.11 110.4 20.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . 0.533 ' HA3' HG11 ' H' ' 39' ' ' VAL . . . -123.81 121.21 4.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.613 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' P' ' 17' ' ' LEU . 2.7 mm? -110.88 106.42 15.55 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mtm -113.24 108.98 18.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.378 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.59 128.55 71.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.442 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . 0.625 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -129.51 142.88 14.04 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.261 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.28 131.64 4.63 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.481 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.18 133.57 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.434 0.159 . . . . 10.0 111.259 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 8.7 p -173.85 162.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.333 -0.247 . . . . 10.0 110.333 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 pt -93.43 176.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.631 0.253 . . . . 10.0 110.477 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.455 -0.783 . . . . 10.0 110.552 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 N--CA 1.456 -0.169 0 CA-C-O 120.781 0.324 . . . . 10.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 4.2 t60 -68.5 102.63 1.49 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.148 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.439 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 59.7 m170 -92.36 88.5 6.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.249 0.547 . . . . 10.0 111.28 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 6.6 tt0 -106.8 120.34 41.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.606 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -130.78 126.11 35.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 111.765 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -113.71 117.15 30.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.269 -1.011 . . . . 10.0 108.269 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -129.43 125.21 61.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -116.33 121.18 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.455 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -114.26 99.23 7.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.445 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.08 136.52 40.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.735 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.4 mm-40 -85.59 177.45 7.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.293 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' B' ' 27' ' ' ASN . 29.7 t70 -157.91 87.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.865 0.364 . . . . 10.0 111.321 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.794 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 26.0 t -122.56 -38.99 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.062 0.458 . . . . 10.0 110.307 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -93.07 -153.31 30.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 10.0 111.976 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.49 115.77 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 141.8 44.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 7.8 tttt -164.5 176.48 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.4 147.92 16.71 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.119 -1.039 . . . . 10.0 113.106 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.49 161.77 16.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.968 0.413 . . . . 10.0 110.848 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' B' ' 31' ' ' ILE . 12.7 mm -105.2 82.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 10.0 109.41 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.568 HG22 ' HB ' ' B' ' 32' ' ' ILE . 16.5 pt -103.09 133.05 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.358 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.16 99.89 0.86 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.14 97.83 11.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.606 0.241 . . . . 10.0 110.58 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.45 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.4 mpt? -129.47 74.26 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.282 0.563 . . . . 10.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' B' ' 36' ' ' VAL . 24.7 t -90.92 134.61 29.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.28 125.93 6.36 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.498 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.08 112.59 0.94 Allowed Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.426 -1.069 . . . . 10.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.44 123.48 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.452 0.644 . . . . 10.0 111.922 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' B' ' 40' ' ' VAL . 54.5 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.911 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.439 ' ND1' ' HB2' ' A' ' 14' ' ' HIS . 27.7 m-70 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.1 tt0 -117.91 127.6 54.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.972 0.415 . . . . 10.0 111.407 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -131.93 125.18 31.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.483 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 8.6 mp -112.67 111.6 22.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.708 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.8 t -116.17 121.69 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.01 113.17 18.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.666 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.2 122.22 42.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.84 113.68 13.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.742 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 32.6 mt-10 -87.51 159.26 18.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.948 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.6 m-20 -147.0 51.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.794 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 76.9 t -73.7 -26.49 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.432 . . . . 10.0 111.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.57 -65.18 1.36 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.197 -1.001 . . . . 10.0 111.82 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.522 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 p -167.27 120.64 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.527 HD21 ' HA ' ' A' ' 23' ' ' ASP . 1.2 m120 -62.57 146.74 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.353 0.408 . . . . 10.0 110.055 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.719 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 22.6 tptt -139.29 -75.71 0.36 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.189 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.686 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 145.25 98.75 0.25 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.714 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.753 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -84.73 153.82 22.82 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -98.97 117.12 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.615 0.722 . . . . 10.0 109.73 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.568 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.0 mt -131.66 115.91 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.746 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' J' ' 39' ' ' VAL . . . -105.1 120.07 6.41 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.278 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.37 91.42 3.64 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.473 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 2.5 mpt? -121.65 85.72 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.314 0.578 . . . . 10.0 111.357 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 36' ' ' VAL . 35.3 t -95.22 132.92 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.432 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -117.33 106.98 1.48 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.369 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 105.17 2.02 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.618 -0.993 . . . . 10.0 110.618 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 2.4 t -113.96 119.93 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.654 0.264 . . . . 10.0 110.928 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' A' ' 40' ' ' VAL . 49.1 t -129.48 129.71 67.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.701 ' HA ' HG13 ' J' ' 31' ' ' ILE . 0.5 OUTLIER -64.61 142.01 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 10.0 110.752 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.434 ' H ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.009 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.701 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.342 0.591 . . . . 10.0 111.191 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 27.2 m -89.82 127.5 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.688 . . . . 10.0 112.15 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -83.48 97.46 9.01 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . 0.414 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 1.7 m-70 -84.71 107.26 16.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.183 0.516 . . . . 10.0 111.884 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.42 102.88 9.26 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -114.95 121.06 41.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 10.0 111.957 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.483 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 49.4 mt -119.53 114.47 22.31 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' D' ' 18' ' ' VAL . 6.6 p -136.04 131.14 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.465 0.65 . . . . 10.0 112.543 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.455 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 11.3 m-85 -118.53 132.7 56.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.898 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -112.46 102.37 10.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.456 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.06 118.36 33.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.377 . . . . 10.0 110.082 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 35.1 mt-10 -107.52 159.21 16.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.69 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.1 t70 -152.76 119.76 5.8 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.982 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.0 m -135.42 20.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 108.729 -0.841 . . . . 10.0 108.729 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.3 -68.32 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.76 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.5 m -167.5 92.29 0.39 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.686 0.395 . . . . 10.0 110.327 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.419 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 48.4 t30 -57.58 148.53 23.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.266 0.555 . . . . 10.0 111.797 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' D' ' 28' ' ' LYS . 61.6 tttt -135.17 -118.67 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.831 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.753 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -152.78 101.01 0.21 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.945 -1.122 . . . . 10.0 113.93 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.809 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -72.62 158.32 35.88 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.698 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 mt -116.25 85.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.097 0.475 . . . . 10.0 110.037 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.881 HG22 ' HB ' ' D' ' 32' ' ' ILE . 16.7 pt -115.16 138.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.132 0.491 . . . . 10.0 112.265 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.9 122.05 3.08 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.355 -0.698 . . . . 10.0 111.355 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.5 mp -111.12 101.18 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.848 0.356 . . . . 10.0 110.675 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.473 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.7 mpp? -119.73 93.84 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.706 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB ' ' D' ' 36' ' ' VAL . 39.8 t -103.72 115.87 46.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.653 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' HE2' ' K' ' 35' ' ' MET . . . -112.16 127.34 8.02 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.738 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.02 127.42 3.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.629 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' K' ' 31' ' ' ILE . 7.6 p -127.4 120.33 54.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.425 0.631 . . . . 10.0 111.683 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.301 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.747 0.308 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.701 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 6.4 p -133.66 131.93 57.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -91.73 129.83 37.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 98.9 m-70 -132.91 94.95 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.064 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 29.4 pt20 -117.8 139.38 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.363 0.602 . . . . 10.0 112.507 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -138.65 129.28 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.914 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' E' ' 17' ' ' LEU . 8.4 mp -116.41 115.58 26.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.707 -0.678 . . . . 10.0 109.25 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' E' ' 18' ' ' VAL . 4.8 t -123.07 119.13 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 35.9 m-85 -116.63 123.48 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.665 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -104.54 127.75 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.196 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.12 103.24 5.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -104.57 88.08 2.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.172 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.64 ' HA ' HD21 ' E' ' 27' ' ' ASN . 0.7 OUTLIER -80.62 116.18 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.065 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.531 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.6 t -115.54 -27.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 10.0 111.276 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.91 -84.2 1.21 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -148.49 104.35 3.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.69 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.6 OUTLIER -54.75 151.38 8.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.914 -179.052 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.827 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 47.4 tttm -138.64 -90.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.282 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.809 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . 170.83 110.54 0.24 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.452 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -97.87 151.3 20.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.397 0.141 . . . . 10.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.712 HG13 HD13 ' L' ' 41' ' ' ILE . 6.0 mm -96.18 111.64 26.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.876 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.881 ' HB ' HG22 ' C' ' 32' ' ' ILE . 64.9 mt -129.77 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.267 -0.424 . . . . 10.0 109.949 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.439 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.1 117.52 5.6 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.692 -0.766 . . . . 10.0 112.215 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.3 mm? -104.67 98.88 8.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.571 ' HG2' ' CA ' ' L' ' 37' ' ' GLY . 2.2 mpp? -115.43 98.05 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.293 0.568 . . . . 10.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.7 ' HB ' HG13 ' C' ' 36' ' ' VAL . 35.9 t -105.87 128.06 60.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.372 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.581 ' CA ' ' HG2' ' L' ' 35' ' ' MET . . . -129.39 119.29 2.88 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.528 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 129.66 5.42 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.393 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.501 ' CG2' HG23 ' E' ' 39' ' ' VAL . 3.7 m -128.01 143.08 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' E' ' 40' ' ' VAL . 13.7 p -154.25 145.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.755 HD13 HG13 ' L' ' 31' ' ' ILE . 25.9 mm -65.74 131.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.489 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.047 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' F' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.985 0.898 . . . . 10.0 109.225 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.432 HG12 ' CG1' ' D' ' 12' ' ' VAL . 18.5 m -76.14 124.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.602 -1.181 . . . . 10.0 112.835 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -87.25 92.12 8.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.49 107.17 18.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.235 0.541 . . . . 10.0 111.479 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.9 tt0 -118.76 118.19 30.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.286 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -131.32 127.68 38.16 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.086 0.469 . . . . 10.0 111.466 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.447 ' HB2' ' HG ' ' D' ' 17' ' ' LEU . 25.5 mt -121.75 111.8 17.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.528 -0.915 . . . . 10.0 108.528 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.1 m -125.79 129.94 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.276 0.56 . . . . 10.0 112.445 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -123.9 127.94 48.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.785 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -109.82 107.81 17.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.148 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.02 15.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.69 140.78 41.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.966 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.4 OUTLIER -134.38 142.81 47.3 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.801 178.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.475 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.2 t -141.91 13.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.372 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -63.43 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.058 -1.068 . . . . 10.0 114.205 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.1 p -164.13 115.75 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.183 0.492 . . . . 10.0 110.477 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' D' ' 23' ' ' ASP . 4.1 m120 -76.96 157.04 31.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 10.0 111.591 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.827 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.9 tttm -138.78 -100.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -178.03 111.17 0.32 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.107 -1.044 . . . . 10.0 113.115 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.547 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -85.75 168.2 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.654 HG12 HD11 ' L' ' 41' ' ' ILE . 0.4 OUTLIER -121.88 89.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.14 123.72 68.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.148 0.499 . . . . 10.0 111.245 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 110.21 1.41 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.534 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.68 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.9 mp -102.19 105.29 15.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.918 0.389 . . . . 10.0 110.301 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.759 ' HG3' ' HA3' ' M' ' 37' ' ' GLY . 5.3 mmt -116.4 94.64 4.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.01 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' F' ' 36' ' ' VAL . 1.5 m -111.0 120.72 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -126.89 140.24 11.79 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.584 -0.817 . . . . 10.0 113.003 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.22 122.56 2.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.946 -0.645 . . . . 10.0 111.708 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.2 p -111.35 109.9 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.41 0.624 . . . . 10.0 110.624 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' F' ' 42' ' ' ALA . 21.4 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.945 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . 0.428 ' HB3' ' HG3' ' E' ' 11' ' ' GLU . 1.2 tp10 . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.297 0.57 . . . . 10.0 110.51 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 1.006 ' HB ' HG12 ' G' ' 12' ' ' VAL . 4.8 t -116.84 88.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -73.09 123.89 24.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.101 0.477 . . . . 10.0 111.477 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.482 ' CD2' HG12 ' F' ' 12' ' ' VAL . 6.4 m-70 -124.82 97.95 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.691 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.0 tt0 -110.06 122.22 47.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.791 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -133.79 120.1 20.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.332 0.587 . . . . 10.0 112.035 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -112.47 121.47 44.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 10.0 109.447 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' G' ' 18' ' ' VAL . 11.6 t -125.25 118.52 52.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.549 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -118.23 127.72 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.32 128.47 55.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.0 93.61 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -101.5 95.94 6.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.57 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 20.2 m-20 -101.22 101.19 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.518 HG22 ' O ' ' G' ' 23' ' ' ASP . 12.4 m -98.38 8.08 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.23 -86.31 0.95 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.021 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -136.34 102.43 4.97 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.57 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.5 m120 -63.94 152.0 41.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.108 0.48 . . . . 10.0 111.26 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -138.14 -75.42 0.39 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 140.56 119.44 1.6 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.01 -1.091 . . . . 10.0 113.395 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.55 163.99 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.566 HG12 HG13 ' N' ' 39' ' ' VAL . 13.7 tt -109.03 114.42 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.648 0.737 . . . . 10.0 110.794 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -119.44 116.71 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.843 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.466 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -108.41 107.94 2.59 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.246 -0.741 . . . . 10.0 111.246 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.68 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.0 mm? -100.24 101.42 12.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 3.5 mpp? -117.16 96.41 5.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.124 0.488 . . . . 10.0 110.585 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG12 ' E' ' 36' ' ' VAL . 32.4 t -117.37 129.35 74.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.055 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.908 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -141.5 151.64 22.82 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.687 -0.768 . . . . 10.0 112.925 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 143.11 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.592 HG13 HG12 ' N' ' 31' ' ' ILE . 23.2 t -125.12 124.53 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.3 125.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -70.88 104.11 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.615 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.811 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.422 0.63 . . . . 10.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 1.006 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.9 m -113.82 130.59 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.189 -0.914 . . . . 10.0 112.989 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -95.05 97.53 10.02 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.561 ' HB2' ' ND1' ' H' ' 14' ' ' HIS . 2.3 m-70 -86.59 120.42 27.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.469 . . . . 10.0 112.046 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.544 HE22 HG11 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -122.42 99.68 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -114.9 120.75 41.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 10.0 111.545 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.832 HD13 HD21 ' G' ' 34' ' ' LEU . 3.9 mt -124.43 115.75 21.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.221 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -128.17 132.59 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -125.63 123.65 39.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.044 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.14 110.26 21.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.779 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.83 120.64 39.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -126.83 129.35 48.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' F' ' 24' ' ' VAL . 7.1 t70 -117.65 129.01 55.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.236 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 18.2 t -116.69 3.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.195 0.522 . . . . 10.0 110.239 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -135.7 -70.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.621 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -155.46 101.91 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.021 -0.362 . . . . 10.0 110.021 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.891 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 47.8 t-20 -68.88 148.82 49.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 10.0 110.953 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 37.4 tttp -121.12 -83.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.983 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.61 110.61 0.23 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.865 -1.16 . . . . 10.0 113.417 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.17 160.71 18.41 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.515 -0.18 . . . . 10.0 110.515 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 45.0 mt -104.9 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -106.83 113.59 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.459 . . . . 10.0 110.637 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.64 112.27 2.41 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.832 HD21 HD13 ' G' ' 17' ' ' LEU . 30.4 tp -113.4 106.92 15.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.81 0.338 . . . . 10.0 110.314 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.995 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.5 mpt? -117.38 102.34 9.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.277 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.544 HG11 HE22 ' G' ' 15' ' ' GLN . 40.7 t -118.38 121.73 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.142 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.618 ' O ' ' HA2' ' H' ' 37' ' ' GLY . . . -142.81 145.28 15.17 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.944 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.19 148.43 18.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.323 -0.942 . . . . 10.0 112.628 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' H' ' 39' ' ' VAL . 20.9 m -119.23 147.11 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.72 0.295 . . . . 10.0 110.325 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.83 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.407 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.433 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -70.82 128.59 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.885 0.374 . . . . 10.0 110.552 179.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.69 132.31 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.561 ' ND1' ' HB2' ' G' ' 14' ' ' HIS . 90.3 m-70 -116.55 115.78 26.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.447 -0.945 . . . . 10.0 108.447 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -112.5 120.55 42.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.781 0.324 . . . . 10.0 110.416 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -131.99 108.94 9.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.792 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD23 ' G' ' 17' ' ' LEU . 61.8 mt -116.32 116.83 28.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.278 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 t -119.55 121.21 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.43 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -123.32 134.38 54.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.857 0.36 . . . . 10.0 111.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -113.45 129.31 56.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.081 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -144.09 84.3 1.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.454 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 156.02 28.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.945 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 148.46 37.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 2.2 m -125.08 40.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.249 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.455 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -163.48 -70.44 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.259 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -146.79 86.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.868 0.366 . . . . 10.0 110.117 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.891 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -54.33 126.68 24.14 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.11 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 28.9 tttt -105.31 -77.61 0.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.812 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.76 125.79 2.87 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.305 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.88 177.79 4.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.935 0.398 . . . . 10.0 111.192 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.32 115.08 34.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.4 mt -120.59 101.27 10.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.76 112.59 3.01 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.101 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -116.09 101.94 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.872 0.368 . . . . 10.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.591 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.5 mpp? -106.92 99.88 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.84 130.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.981 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -141.55 146.0 16.83 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.751 -0.738 . . . . 10.0 112.558 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.83 144.41 15.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.118 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' G' ' 39' ' ' VAL . 6.4 m -128.56 131.77 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.555 -0.165 . . . . 10.0 110.555 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p . . . . . 0 C--N 1.324 -0.532 0 N-CA-C 110.297 -0.26 . . . . 10.0 110.297 179.449 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 . . . . . 0 C--O 1.235 0.317 0 N-CA-C 109.376 -0.602 . . . . 10.0 109.376 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -87.09 88.52 7.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 10.0 111.115 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' J' ' 15' ' ' GLN . 10.2 tt0 -108.8 117.74 34.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.167 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -127.24 127.86 45.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.153 0.502 . . . . 10.0 112.207 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.11 110.24 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -123.4 126.74 73.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.297 0.57 . . . . 10.0 112.473 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -118.48 119.83 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.932 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -112.85 111.92 23.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.716 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.67 135.31 54.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.294 -0.412 . . . . 10.0 109.948 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 23.5 mm-40 -84.04 175.05 9.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.976 0.417 . . . . 10.0 111.82 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -153.51 82.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.7 t -116.36 -39.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.027 0.441 . . . . 10.0 110.454 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -91.66 -154.47 30.77 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.742 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.84 123.89 20.1 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.26 144.71 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.513 0.561 . . . . 10.0 112.513 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.684 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.7 tttm -167.64 167.88 13.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.246 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.26 144.61 18.34 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.377 -0.916 . . . . 10.0 113.693 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.751 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -87.63 158.81 18.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.744 -0.228 . . . . 10.0 110.414 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.535 ' HB ' HG12 ' J' ' 31' ' ' ILE . 12.4 mm -103.15 90.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 10.0 109.748 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 12.4 pt -109.5 128.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.736 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.67 100.6 1.13 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.316 -0.713 . . . . 10.0 111.316 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.44 94.63 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.749 0.309 . . . . 10.0 111.205 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.421 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.5 mpt? -127.87 75.7 1.63 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.264 0.555 . . . . 10.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' J' ' 36' ' ' VAL . 18.4 t -93.26 129.34 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.99 131.01 9.22 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.862 -0.685 . . . . 10.0 112.572 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.59 106.1 0.39 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.91 126.5 71.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.327 0.584 . . . . 10.0 111.625 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' J' ' 40' ' ' VAL . 60.4 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.13 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.539 ' O ' ' HA ' ' I' ' 15' ' ' GLN . 10.3 tt0 -110.73 126.86 55.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 10.0 111.531 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -131.41 124.25 29.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' K' ' 17' ' ' LEU . 8.8 mp -111.36 113.98 26.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.599 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.3 t -118.78 121.56 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.093 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.83 117.44 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.802 0.334 . . . . 10.0 111.595 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.41 121.9 44.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.53 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.72 117.74 19.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.9 mt-10 -89.12 158.57 17.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.326 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.471 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 9.2 m-20 -147.9 49.33 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.203 -0.665 . . . . 10.0 109.203 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.878 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 91.4 t -73.62 -28.26 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 10.0 111.189 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.42 -64.79 1.49 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.165 -1.017 . . . . 10.0 111.618 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.581 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.5 p -167.56 122.03 1.0 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 1.5 m120 -62.78 145.79 54.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.684 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 19.3 tptt -137.15 -83.54 0.34 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.709 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.751 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 155.39 91.98 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.2 -1.0 . . . . 10.0 112.556 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.766 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -77.94 148.77 34.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.701 HG13 ' HA ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -96.29 117.3 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.593 0.711 . . . . 10.0 109.892 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 33.1 mt -130.74 116.17 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.563 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -106.14 120.33 6.32 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.422 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.29 90.04 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.51 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 2.7 mpt? -120.67 85.3 2.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.467 0.651 . . . . 10.0 111.382 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' I' ' 36' ' ' VAL . 39.0 t -94.77 133.26 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.189 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.51 105.81 1.24 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.785 -0.722 . . . . 10.0 113.146 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 107.28 2.36 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' K' ' 39' ' ' VAL . 2.7 t -115.73 122.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.715 0.293 . . . . 10.0 110.854 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' I' ' 40' ' ' VAL . 48.0 t -131.13 130.0 63.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.645 ' HA ' HG13 ' B' ' 31' ' ' ILE . 0.5 OUTLIER -65.23 143.93 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 120.941 0.4 . . . . 10.0 110.835 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . 0.466 ' H ' HD13 ' J' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . 0.702 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.391 0.615 . . . . 10.0 110.729 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 m -86.89 121.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.39 -178.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -79.09 100.93 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.456 -0.942 . . . . 10.0 108.456 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . 0.417 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 6.0 m170 -87.3 114.7 24.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.325 0.583 . . . . 10.0 111.612 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 4.4 tt0 -125.16 102.27 7.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.207 -0.906 . . . . 10.0 108.78 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -114.96 121.65 43.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.027 0.441 . . . . 10.0 112.077 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . 0.541 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 49.3 mt -120.05 111.8 18.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.584 HG13 HG13 ' L' ' 18' ' ' VAL . 6.7 p -133.95 131.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 12.0 m-85 -121.05 131.84 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.122 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.69 104.71 12.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.115 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.9 113.03 24.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.787 0.327 . . . . 10.0 110.178 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.598 ' HB2' ' HA ' ' L' ' 22' ' ' GLU . 50.5 mt-10 -97.31 161.59 13.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.937 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.603 ' HB2' HD21 ' L' ' 27' ' ' ASN . 4.5 t70 -158.26 116.1 2.97 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.327 179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' J' ' 24' ' ' VAL . 10.5 m -133.16 13.7 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.6 -66.16 0.21 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.009 -0.996 . . . . 10.0 112.04 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.4 p -175.53 87.26 0.04 OUTLIER 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.362 0.265 . . . . 10.0 110.669 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 57.3 t30 -51.76 142.62 14.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.236 0.541 . . . . 10.0 112.256 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 75.9 tttt -128.51 -112.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.779 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.766 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -156.8 101.87 0.21 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.879 -1.153 . . . . 10.0 113.482 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.712 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -72.73 157.44 37.5 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.2 mt -116.13 85.49 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.826 HG22 ' HB ' ' L' ' 32' ' ' ILE . 20.3 pt -114.85 137.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 10.0 112.364 -178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.05 121.16 3.12 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . 0.503 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -110.98 100.19 8.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 10.0 110.428 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.51 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.6 mpp? -120.26 93.0 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.923 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.724 HG13 ' HB ' ' L' ' 36' ' ' VAL . 38.8 t -101.57 118.94 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.638 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.11 126.13 7.05 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.622 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.45 129.14 4.41 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.564 -0.615 . . . . 10.0 111.564 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' C' ' 31' ' ' ILE . 7.2 p -128.4 122.79 58.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.479 0.657 . . . . 10.0 111.652 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.453 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.34 0.114 . . . . 10.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.702 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 7.0 p -104.61 135.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.694 0.283 . . . . 10.0 111.255 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -92.99 132.27 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.023 0.439 . . . . 10.0 111.622 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 95.6 m-70 -133.95 92.73 2.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.418 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 27.8 pt20 -116.08 137.03 52.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.587 . . . . 10.0 112.448 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' L' ' 16' ' ' LYS . 36.4 ttpt -137.98 127.36 24.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.898 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.2 mp -114.77 117.62 31.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.358 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.77 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.8 t -124.27 119.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.704 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 34.9 m-85 -117.77 120.12 36.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.766 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.38 97.36 3.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' K' ' 22' ' ' GLU . 1.9 pt-20 -104.4 96.59 6.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.276 0.56 . . . . 10.0 112.034 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 124.1 31.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.809 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.44 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 85.8 t -119.96 -30.15 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.776 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.71 -76.24 1.23 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.336 -0.935 . . . . 10.0 113.172 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . 0.491 ' C ' HD22 ' M' ' 27' ' ' ASN . 61.0 m -154.45 101.01 2.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . 0.603 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -52.79 148.87 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.007 0.817 . . . . 10.0 112.175 -178.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.964 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 20.0 tttm -137.31 -86.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.069 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 164.13 113.67 0.29 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.093 -1.051 . . . . 10.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.428 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -97.82 154.78 17.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.398 0.142 . . . . 10.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.755 HG13 HD13 ' D' ' 41' ' ' ILE . 6.1 mm -98.72 110.0 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.826 ' HB ' HG22 ' K' ' 32' ' ' ILE . 47.7 mt -128.62 109.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.15 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . 0.495 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -106.6 117.61 5.42 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.068 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.5 mm? -105.53 98.09 7.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.581 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 2.2 mpp? -115.39 98.71 6.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.348 0.594 . . . . 10.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.724 ' HB ' HG13 ' K' ' 36' ' ' VAL . 29.2 t -104.64 128.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.571 ' CA ' ' HG2' ' D' ' 35' ' ' MET . . . -127.43 121.63 3.92 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.288 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.52 127.72 4.05 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.35 -0.929 . . . . 10.0 112.745 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' M' ' 39' ' ' VAL . 2.9 m -128.38 142.44 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -151.73 143.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.878 0.371 . . . . 10.0 111.367 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . 0.712 HD13 HG13 ' D' ' 31' ' ' ILE . 34.0 mm -67.38 128.95 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.517 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.255 179.635 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' N' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.767 0.794 . . . . 10.0 109.656 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.28 124.14 32.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.911 -1.041 . . . . 10.0 112.006 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -86.17 89.27 7.78 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -86.02 113.42 22.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.618 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 16.2 tt0 -126.48 122.4 35.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.204 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -135.71 128.88 31.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.865 0.364 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 25.2 mt -122.3 110.68 15.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.31 -0.996 . . . . 10.0 108.31 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.77 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.1 m -124.07 128.34 73.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -122.56 124.97 44.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.686 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -106.93 105.52 15.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.215 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.29 111.57 22.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.903 0.382 . . . . 10.0 109.97 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' L' ' 22' ' ' GLU . 34.8 mt-10 -112.36 138.61 48.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.988 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.83 143.15 49.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.853 0.359 . . . . 10.0 110.475 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -142.39 13.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.2 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -141.6 -64.13 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.036 -1.078 . . . . 10.0 114.59 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.83 122.26 3.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.246 0.523 . . . . 10.0 110.331 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . 0.491 HD22 ' C ' ' L' ' 26' ' ' SER . 4.9 m-80 -85.64 147.9 26.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.073 0.464 . . . . 10.0 111.533 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.964 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 13.3 mttm -130.92 -96.02 0.36 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.177 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 171.94 113.25 0.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.707 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -84.11 165.12 18.75 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.695 HG12 HD11 ' D' ' 41' ' ' ILE . 0.6 OUTLIER -116.05 92.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.411 HG23 ' HB ' ' N' ' 32' ' ' ILE . 9.1 mt -113.78 125.22 71.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 10.0 111.187 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.73 110.09 1.33 Allowed Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.974 -0.632 . . . . 10.0 111.561 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.697 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.1 mp -101.87 105.13 15.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.838 0.351 . . . . 10.0 110.208 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.2 mmt -117.45 95.67 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.905 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.63 HG12 ' HB ' ' N' ' 36' ' ' VAL . 1.8 m -111.83 124.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.591 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . 0.759 ' HA3' ' HG3' ' E' ' 35' ' ' MET . . . -131.62 133.19 7.07 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.217 -0.992 . . . . 10.0 113.194 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.49 123.19 3.3 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.983 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.538 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.5 p -111.86 111.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.262 0.553 . . . . 10.0 110.522 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.451 HG12 ' HB2' ' N' ' 42' ' ' ALA . 20.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.99 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -108.89 92.97 2.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -77.45 125.01 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 10.0 111.865 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -121.92 97.47 5.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.816 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' M' ' 15' ' ' GLN . 17.3 tt0 -108.99 119.4 39.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.799 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . 0.591 ' HG3' ' HG2' ' O' ' 16' ' ' LYS . 16.9 ptmt -135.4 121.75 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.43 0.633 . . . . 10.0 112.153 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.7 mp -113.41 120.6 41.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.445 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.933 ' HB ' HG12 ' O' ' 18' ' ' VAL . 10.7 t -122.21 116.66 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.335 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -116.87 127.01 53.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.638 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -109.21 127.56 54.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.14 89.19 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.31 104.46 14.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . 0.575 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 32.1 m-20 -108.25 111.84 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.187 0.517 . . . . 10.0 110.273 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' O' ' 24' ' ' VAL . 19.8 m -100.1 11.83 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -120.22 -89.52 1.14 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.231 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.05 97.78 3.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 1.3 m120 -62.58 140.56 58.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.446 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 0.1 OUTLIER -125.18 -72.95 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.384 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 140.04 118.43 1.53 Allowed Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.907 -1.139 . . . . 10.0 113.682 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -94.01 165.96 12.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.592 HG12 HG13 ' F' ' 39' ' ' VAL . 11.9 tt -110.59 117.98 56.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.563 0.697 . . . . 10.0 110.726 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.45 HG12 HD12 ' O' ' 32' ' ' ILE . 15.9 mt -122.05 117.35 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.817 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -108.62 109.33 2.82 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.113 -0.795 . . . . 10.0 111.113 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.697 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -100.74 101.07 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.908 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 3.4 mpp? -116.35 97.33 5.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.031 0.443 . . . . 10.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . 0.63 ' HB ' HG12 ' M' ' 36' ' ' VAL . 39.7 t -116.36 130.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.734 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.04 144.72 14.99 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.506 -0.854 . . . . 10.0 113.139 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.61 142.04 12.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.124 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.566 HG13 HG12 ' F' ' 31' ' ' ILE . 32.6 t -126.37 123.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' M' ' 40' ' ' VAL . 3.1 p -143.07 124.87 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -70.58 108.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.347 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . 0.451 ' HB2' HG12 ' M' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.733 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . 0.441 ' HB3' HG13 ' P' ' 12' ' ' VAL . 15.3 mt-10 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.969 0.414 . . . . 10.0 111.415 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' N' ' 12' ' ' VAL . 19.4 m -111.05 127.69 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -94.53 101.38 13.27 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -89.4 120.58 30.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -120.67 94.3 4.32 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . 0.591 ' HG2' ' HG3' ' N' ' 16' ' ' LYS . 1.1 tmmm? -110.96 115.58 29.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.219 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . 0.836 HD13 HD21 ' O' ' 34' ' ' LEU . 4.7 mt -121.6 119.05 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.933 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.3 m -130.71 132.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' P' ' 32' ' ' ILE . 30.8 m-85 -125.78 124.44 40.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.143 -0.935 . . . . 10.0 108.886 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -110.72 110.73 21.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 119.38 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' P' ' 22' ' ' GLU . 32.5 mt-10 -124.38 129.44 50.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.894 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.03 127.19 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 10.0 110.662 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' N' ' 24' ' ' VAL . 5.9 t -118.86 10.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.296 0.57 . . . . 10.0 109.719 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.44 -71.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.129 -1.034 . . . . 10.0 112.99 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -158.36 109.67 2.19 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.689 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.4 t-20 -66.68 149.34 50.66 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.392 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 63.5 tttp -126.43 -78.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.969 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 158.34 106.32 0.23 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.673 -1.251 . . . . 10.0 113.544 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 162.48 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -107.95 96.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . 0.45 HD12 HG12 ' N' ' 32' ' ' ILE . 64.0 mt -105.08 114.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.626 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.54 104.35 0.98 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.305 -0.718 . . . . 10.0 111.305 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . 0.836 HD21 HD13 ' O' ' 17' ' ' LEU . 39.4 tp -107.48 113.1 26.22 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.496 ' HG3' ' HG3' ' P' ' 35' ' ' MET . 1.3 ptp -128.69 108.19 10.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.281 0.562 . . . . 10.0 110.998 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -120.98 123.58 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.237 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . 0.995 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -141.17 132.68 5.46 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.833 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.27 147.76 19.32 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.746 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' N' ' 39' ' ' VAL . 26.5 m -118.52 142.02 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 10.0 110.497 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.821 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.703 0.287 . . . . 10.0 110.64 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 12' ' ' VAL . . . . . 0.549 HG21 ' N ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -67.04 140.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.624 -0.509 . . . . 10.0 109.624 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -68.54 131.23 44.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -115.15 105.56 13.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -104.58 122.19 45.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.088 0.471 . . . . 10.0 110.849 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -134.36 112.52 11.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD23 ' O' ' 17' ' ' LEU . 6.9 mp -118.79 122.83 43.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.08 124.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.292 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -128.18 131.74 48.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.857 0.36 . . . . 10.0 111.127 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -110.72 129.79 55.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.405 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.72 78.11 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' HB2' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -109.91 158.35 18.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.766 -178.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -149.5 151.0 33.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.1 OUTLIER -127.59 29.79 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.524 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.25 -60.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.805 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -151.23 94.04 1.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.689 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 0.2 OUTLIER -60.9 123.27 17.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.783 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . 0.519 ' N ' HD22 ' P' ' 27' ' ' ASN . 36.4 tttp -101.08 -83.22 0.45 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.648 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.31 112.02 1.56 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.575 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 179.97 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.844 0.354 . . . . 10.0 111.165 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pt -98.26 113.02 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . 0.531 HG21 ' HE2' ' O' ' 19' ' ' PHE . 41.6 mt -117.46 102.19 13.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.996 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 120.56 5.02 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.079 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.45 107.55 13.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 10.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.981 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mpt? -108.05 98.93 8.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.066 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -108.63 126.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.366 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -135.26 154.24 21.55 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.86 139.01 6.95 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.164 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -127.42 138.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -175.8 166.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.121 -0.325 . . . . 10.0 110.121 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 14.5 pt -95.79 -178.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 10.0 110.388 -179.683 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER . . . . . 0 N--CA 1.456 -0.125 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.467 ' H ' HG12 ' A' ' 12' ' ' VAL . 3.0 t-160 -102.71 114.87 29.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.273 -1.33 . . . . 10.0 108.568 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -94.08 87.09 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -103.13 117.46 34.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.725 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -138.59 131.03 28.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.972 0.415 . . . . 10.0 111.67 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.84 109.96 14.84 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -119.75 123.73 71.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.313 0.578 . . . . 10.0 112.457 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -114.55 117.95 32.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.6 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -111.25 107.33 16.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.801 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -108.21 128.95 55.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.883 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 3.1 mm-40 -75.99 173.51 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.384 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -152.9 84.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.802 0.334 . . . . 10.0 111.47 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.867 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 44.5 t -122.89 -37.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.697 0.284 . . . . 10.0 111.011 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.561 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -91.72 -155.63 31.95 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.163 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 p -70.28 128.12 35.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.383 -0.229 . . . . 10.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -58.88 151.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 25.3 tptt -160.02 -144.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.422 -0.808 . . . . 10.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.22 128.65 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.331 -0.938 . . . . 10.0 113.138 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.65 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -83.35 157.27 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.588 0.233 . . . . 10.0 110.597 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.632 ' HB ' HD13 ' B' ' 31' ' ' ILE . 31.7 mm -106.55 90.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' B' ' 32' ' ' ILE . 19.5 pt -105.82 136.75 38.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.623 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.11 95.71 0.58 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 93.67 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.024 0.44 . . . . 10.0 110.822 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.9 mpt? -124.29 77.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.173 0.511 . . . . 10.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.47 119.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.667 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.7 107.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.56 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -135.86 116.32 1.47 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.354 -0.699 . . . . 10.0 111.354 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.36 137.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 10.0 111.221 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' HB ' ' B' ' 40' ' ' VAL . 60.2 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 m80 . . . . . 0 C--O 1.232 0.154 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -114.53 112.77 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.146 0.498 . . . . 10.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -124.13 123.66 40.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.762 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -105.94 111.55 24.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.247 -0.888 . . . . 10.0 108.98 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.1 t -114.76 120.54 64.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.02 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.54 117.26 25.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.883 0.373 . . . . 10.0 111.384 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -104.06 118.95 37.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.948 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -127.45 109.62 11.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.883 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 73.9 mt-10 -90.67 152.54 20.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . 0.68 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 13.5 m-20 -141.99 61.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.867 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 46.5 t -80.43 -20.83 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.071 0.462 . . . . 10.0 111.05 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.2 -61.91 1.02 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 10.0 111.783 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.561 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 77.9 p -165.35 120.39 1.3 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.68 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -64.1 148.98 48.61 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.797 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -143.48 -99.19 0.12 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.874 -0.33 . . . . 10.0 111.812 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 172.78 107.15 0.2 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.664 -1.255 . . . . 10.0 113.092 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' CA ' ' C' ' 29' ' ' GLY . . . -89.95 156.7 18.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.637 0.256 . . . . 10.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.81 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.1 mm -99.37 100.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.655 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -114.3 106.1 20.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.787 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.53 114.58 5.05 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.873 -0.679 . . . . 10.0 111.922 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -111.67 91.74 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HA ' ' C' ' 35' ' ' MET . 1.4 mpt? -121.67 90.41 3.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.378 0.609 . . . . 10.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' C' ' 36' ' ' VAL . 43.7 t -101.77 128.35 54.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.457 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.48 118.86 4.08 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.02 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -140.76 113.78 0.89 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.255 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' C' ' 39' ' ' VAL . 35.2 m -124.37 139.25 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.077 0.465 . . . . 10.0 110.729 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 40' ' ' VAL . 46.3 t -125.51 136.83 59.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.153 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ILE . . . . . 0.781 ' HA ' HG13 ' J' ' 31' ' ' ILE . 18.1 tt -64.1 131.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.011 0.434 . . . . 10.0 111.129 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.613 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . 0.613 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.289 0 CA-C-O 121.25 0.547 . . . . 10.0 111.319 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 10.9 m -98.26 120.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.688 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -87.32 96.79 10.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -86.15 110.29 19.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.157 0.503 . . . . 10.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -126.21 93.36 3.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.121 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -105.37 120.6 41.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.842 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.7 mt -116.77 111.97 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.535 HG13 HG13 ' D' ' 18' ' ' VAL . 7.5 p -134.91 132.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -121.2 130.51 53.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.423 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -112.12 99.04 7.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.193 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.0 124.44 49.59 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 66.8 mt-10 -116.82 150.01 39.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.632 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.0 t70 -142.83 125.61 16.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.035 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 8.1 m -137.18 13.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -128.33 -68.65 0.13 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.575 -0.738 . . . . 10.0 112.295 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.0 p -169.87 87.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -53.87 145.94 15.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.797 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 63.4 tttt -129.79 -100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.712 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' B' ' 30' ' ' ALA . . . -175.68 111.57 0.36 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.424 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -82.94 149.39 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' D' ' 31' ' ' ILE . 0.3 OUTLIER -102.28 91.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.655 HG22 HG13 ' D' ' 32' ' ' ILE . 27.4 pt -112.77 129.89 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.372 0.606 . . . . 10.0 112.03 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.17 113.0 2.03 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.04 104.21 13.6 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.521 ' HA ' ' O ' ' B' ' 35' ' ' MET . 2.5 mpt? -126.35 97.56 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.25 0.548 . . . . 10.0 111.049 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB ' ' D' ' 36' ' ' VAL . 25.5 t -102.55 123.29 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.564 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -117.25 114.85 3.08 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.432 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . 0.473 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -130.51 122.22 3.53 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.776 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' B' ' 39' ' ' VAL . 4.2 p -123.43 120.77 61.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.487 0.66 . . . . 10.0 110.806 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.934 -179.135 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' D' ' 12' ' ' VAL . 3.1 tp10 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 110.775 -0.083 . . . . 10.0 110.775 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.613 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 11.6 p -106.06 132.69 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.196 0.522 . . . . 10.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -61.24 132.33 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -130.68 99.15 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.325 -0.852 . . . . 10.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' E' ' 15' ' ' GLN . 9.7 pt20 -122.33 136.94 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -130.0 118.59 21.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.099 -0.955 . . . . 10.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -109.32 113.66 26.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.314 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.771 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.5 t -124.34 121.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.343 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -117.83 122.96 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.464 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' E' ' 20' ' ' PHE . 98.6 m-85 -101.6 124.76 47.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 97.1 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -101.37 100.73 11.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.282 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -93.02 116.92 29.5 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.95 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 64.9 t -111.68 -30.49 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.896 0.379 . . . . 10.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.09 -123.67 2.88 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.443 -0.884 . . . . 10.0 111.928 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -99.72 98.5 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -51.06 145.98 6.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.969 -0.559 . . . . 10.0 112.003 -179.091 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 42.4 tttm -135.0 -88.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.568 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 155.47 121.87 0.76 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.636 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -92.67 159.88 15.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.442 HD11 HG13 ' K' ' 39' ' ' VAL . 3.2 tp -111.13 98.95 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.702 0.763 . . . . 10.0 109.893 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.913 HG22 ' HB ' ' E' ' 32' ' ' ILE . 1.3 pt -123.5 130.54 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.359 -0.837 . . . . 10.0 111.367 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.28 128.98 7.98 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.467 -0.788 . . . . 10.0 112.188 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.32 95.63 5.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.2 mpt? -115.63 99.26 7.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.422 0.629 . . . . 10.0 111.262 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' C' ' 36' ' ' VAL . 40.3 t -107.83 128.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.239 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' C' ' 37' ' ' GLY . . . -129.62 133.11 7.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.638 -0.791 . . . . 10.0 112.472 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.08 136.42 5.97 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.659 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' E' ' 39' ' ' VAL . 2.2 m -129.36 152.45 37.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.519 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.3 p -156.36 153.88 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 10.0 111.656 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ILE . . . . . 0.56 HD11 HG12 ' M' ' 31' ' ' ILE . 18.3 mm -74.0 130.67 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.6 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.84 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . 0.94 ' HA ' HG22 ' F' ' 12' ' ' VAL . 6.1 mp0 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.704 0.764 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.38 130.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.876 -1.057 . . . . 10.0 111.725 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.43 108.75 8.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -97.64 112.97 24.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.035 0.445 . . . . 10.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' D' ' 15' ' ' GLN . 2.1 tt0 -118.07 115.08 24.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.55 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -122.3 120.81 35.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.259 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 41.9 mt -120.64 108.97 14.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.771 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.0 m -125.08 126.55 71.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.275 0.559 . . . . 10.0 112.508 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.402 ' CE2' HG21 ' E' ' 32' ' ' ILE . 24.3 m-85 -121.04 122.89 41.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.602 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.449 ' HA ' ' HB2' ' D' ' 20' ' ' PHE . 55.5 m-85 -105.58 99.56 9.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.071 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 105.99 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 10.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.15 135.72 54.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.132 0.491 . . . . 10.0 111.935 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 149.11 43.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.194 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.6 OUTLIER -140.71 19.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.16 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.84 -53.49 0.01 OUTLIER Glycine 0 C--N 1.333 0.415 0 C-N-CA 119.664 -1.255 . . . . 10.0 114.419 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.4 p -163.74 118.57 1.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.05 0.425 . . . . 10.0 110.581 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -79.31 156.16 28.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.571 . . . . 10.0 112.065 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.7 tttt -141.96 -117.64 0.11 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.22 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -165.69 109.92 0.38 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.384 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.488 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -82.51 153.38 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.648 HG12 HD11 ' L' ' 41' ' ' ILE . 0.6 OUTLIER -111.12 95.79 4.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.913 ' HB ' HG22 ' D' ' 32' ' ' ILE . 25.2 mt -124.2 125.67 70.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.585 -0.446 . . . . 10.0 111.424 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.21 4.03 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.558 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.64 ' HG ' HD23 ' F' ' 34' ' ' LEU . 6.1 mp -109.46 106.55 16.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.508 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 mpt? -121.59 100.13 6.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.1 t -108.07 116.76 52.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.849 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -121.95 124.25 5.7 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.96 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.47 129.04 6.31 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.068 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.558 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.4 p -117.73 115.0 47.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.098 0.475 . . . . 10.0 110.631 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.519 ' HB ' HG23 ' D' ' 40' ' ' VAL . 25.7 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.115 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.075 0.464 . . . . 10.0 110.091 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.991 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.0 t -118.54 114.56 45.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.345 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -87.69 127.96 35.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.051 0.453 . . . . 10.0 111.606 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -123.77 105.18 9.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.377 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 2.3 tt0 -110.99 119.25 38.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.901 0.382 . . . . 10.0 110.859 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -130.38 114.76 15.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.353 0.597 . . . . 10.0 111.751 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.44 118.68 36.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.571 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.828 ' HB ' HG12 ' G' ' 18' ' ' VAL . 13.4 t -123.84 115.06 43.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.727 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.7 126.68 54.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.661 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -105.52 129.29 53.83 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.733 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 86.1 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.438 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' G' ' 22' ' ' GLU . 5.4 pt-20 -109.48 110.99 22.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.152 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' F' ' 27' ' ' ASN . 44.4 m-20 -114.42 119.22 36.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.055 0.455 . . . . 10.0 110.346 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' G' ' 24' ' ' VAL . 32.8 m -100.79 10.34 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.387 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.8 -82.09 0.84 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 p -150.18 100.26 2.89 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.592 -0.522 . . . . 10.0 109.592 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' E' ' 28' ' ' LYS . 1.2 m120 -61.76 142.36 57.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.784 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.654 ' HA ' ' HD3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -123.59 -62.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 131.29 118.61 2.01 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.114 -1.041 . . . . 10.0 113.752 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -93.89 166.08 12.35 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.599 HG12 HG13 ' N' ' 39' ' ' VAL . 14.7 tt -111.45 113.36 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.759 0.79 . . . . 10.0 111.342 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' E' ' 32' ' ' ILE . 18.1 mt -120.11 125.0 73.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.738 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.5 113.21 2.95 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.64 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.3 mm? -105.11 98.55 8.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.5 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.8 mpt? -116.04 99.49 7.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.205 0.526 . . . . 10.0 110.974 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.09 132.67 53.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.022 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.53 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -133.62 138.28 9.98 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.576 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.88 134.0 6.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.298 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.644 HG13 HG12 ' N' ' 31' ' ' ILE . 47.8 t -125.8 127.09 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.7 p -150.27 129.38 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 8.7 pt -76.41 139.22 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.921 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.416 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.096 0.474 . . . . 10.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.991 HG12 ' HB ' ' F' ' 12' ' ' VAL . 8.1 m -130.02 134.18 63.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.127 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 5.2 t60 -94.05 102.3 14.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -92.36 120.46 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.59 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 0.0 OUTLIER -117.24 99.94 7.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -111.62 111.41 22.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 10.0 111.211 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -114.8 117.65 31.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.828 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.7 m -130.53 130.29 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -125.44 122.29 36.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.293 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.74 105.84 16.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.598 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.21 117.95 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.177 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 22' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' F' ' 22' ' ' GLU . 3.5 pt-20 -134.57 133.3 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.386 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HB2' ' H' ' 27' ' ' ASN . 4.3 t70 -118.87 138.41 52.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.868 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.537 ' HA ' HG22 ' F' ' 24' ' ' VAL . 10.5 t -117.25 1.18 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.286 0.565 . . . . 10.0 110.22 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -126.54 -73.28 0.19 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.378 -0.915 . . . . 10.0 113.141 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -157.3 110.73 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.861 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 22.3 t-20 -63.49 148.94 47.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 14.8 tttp -124.82 -80.27 0.62 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.716 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 161.69 114.33 0.33 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.851 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.9 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.096 0.158 . . . . 10.0 110.641 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 38.0 mt -107.32 97.39 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 38.0 mt -112.15 114.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.427 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.69 125.75 6.24 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.058 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' H' ' 34' ' ' LEU . 5.0 mp -124.11 109.37 13.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.842 0.353 . . . . 10.0 110.28 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.765 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.4 mpt? -120.83 104.4 9.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.057 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.88 114.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.254 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.763 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -125.28 127.99 6.45 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.238 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.5 138.87 9.3 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.499 -0.858 . . . . 10.0 112.353 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.617 HG12 ' HB ' ' F' ' 39' ' ' VAL . 21.4 m -124.67 139.6 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 10.0 110.698 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 3.8 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.229 -0.286 . . . . 10.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -76.2 133.15 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.619 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 27.6 t60 -72.52 138.62 47.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.959 0.726 . . . . 10.0 112.959 -177.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -123.46 95.53 4.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.859 . . . . 10.0 108.745 178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -93.24 126.41 38.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.878 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -133.69 120.41 20.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.399 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.191 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 t -115.54 117.9 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.244 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.59 133.61 52.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.075 0.464 . . . . 10.0 111.036 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.34 133.77 52.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.029 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.68 70.96 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.796 -0.816 . . . . 10.0 108.796 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 22' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' H' ' 22' ' ' GLU . 0.0 OUTLIER -100.43 148.95 24.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.609 -178.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . 0.414 ' O ' HG23 ' G' ' 24' ' ' VAL . 3.6 t70 -145.8 141.21 27.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.196 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.25 31.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 10.0 110.736 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . 0.55 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -151.42 -64.68 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.607 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -153.39 92.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.861 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.5 t-20 -47.95 123.95 6.83 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 123.597 0.56 . . . . 10.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -104.63 -80.8 0.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.231 0.539 . . . . 10.0 109.989 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.27 112.8 2.46 Favored Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.425 -0.807 . . . . 10.0 112.3 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.57 -179.28 4.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.576 0.227 . . . . 10.0 110.551 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.77 116.0 46.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.125 0.488 . . . . 10.0 110.743 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -122.75 116.79 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.576 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.73 115.74 3.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.049 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' G' ' 34' ' ' LEU . 3.2 mm? -102.88 99.57 9.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.438 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 6.2 mtm -109.81 103.8 12.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.26 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.29 129.45 66.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.352 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.612 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.03 138.48 10.17 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.041 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.38 130.09 4.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.638 -0.585 . . . . 10.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.486 ' HB ' HD11 ' P' ' 31' ' ' ILE . 0.9 OUTLIER -126.96 135.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p . . . . . 0 C--N 1.326 -0.434 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.23 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 108.711 -0.848 . . . . 10.0 108.711 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -103.46 100.15 10.0 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -118.95 119.71 35.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.797 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -139.25 125.45 20.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.65 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.451 HD22 HD23 ' I' ' 34' ' ' LEU . 3.9 mp -116.23 101.96 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -111.47 121.22 63.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.487 0.66 . . . . 10.0 112.504 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -113.88 120.04 39.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.193 -0.912 . . . . 10.0 109.647 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.91 109.11 17.64 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.997 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.91 137.74 44.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.817 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 22' ' ' GLU . . . . . 0.729 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 25.7 mm-40 -86.66 167.26 14.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.169 0.509 . . . . 10.0 111.104 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -142.64 89.63 2.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.783 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 48.6 t -127.05 -46.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 10.0 110.131 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . 0.606 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -88.06 -156.4 30.49 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.866 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -67.28 129.52 40.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -65.04 152.66 42.9 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.031 0.752 . . . . 10.0 113.031 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' I' ' 28' ' ' LYS . 6.6 tptm -162.15 -144.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.656 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.57 132.32 3.06 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.159 -1.019 . . . . 10.0 113.409 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.698 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -88.44 139.17 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.351 . . . . 10.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD13 ' J' ' 31' ' ' ILE . 31.2 mm -87.37 90.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.161 0.505 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.4 pt -104.82 128.38 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.075 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 94.36 0.7 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 121.1 -0.571 . . . . 10.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.451 HD23 HD22 ' I' ' 17' ' ' LEU . 6.7 mp -88.53 99.16 12.08 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.553 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.4 mpt? -130.18 68.32 1.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.264 0.554 . . . . 10.0 111.243 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.79 123.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.398 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.21 108.09 1.57 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.987 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' J' ' 38' ' ' GLY . . . -131.56 122.26 3.36 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.423 HG12 HG12 ' J' ' 39' ' ' VAL . 14.8 p -145.63 138.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.011 0.434 . . . . 10.0 111.034 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.376 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 52.5 m80 . . . . . 0 C--O 1.233 0.211 0 CA-C-O 121.048 0.451 . . . . 10.0 110.268 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' K' ' 15' ' ' GLN . 10.3 tt0 -115.39 116.09 27.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.912 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -127.32 129.24 47.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.523 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.425 ' HB3' ' HE1' ' J' ' 19' ' ' PHE . 6.2 mp -110.1 110.94 22.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.081 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 4.0 t -114.3 117.78 56.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.168 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.425 ' HE1' ' HB3' ' J' ' 17' ' ' LEU . 67.0 m-85 -119.95 115.3 23.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.177 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -104.08 114.58 28.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.02 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.54 111.01 15.77 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 22' ' ' GLU . . . . . 0.594 ' HG2' ' HG3' ' I' ' 22' ' ' GLU . 52.7 mt-10 -92.47 152.23 19.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . 0.729 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 m-20 -141.41 59.36 1.51 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.981 0.419 . . . . 10.0 110.3 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.783 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 38.4 t -76.26 -19.07 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.331 0.586 . . . . 10.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.73 -61.63 0.95 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.577 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.606 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 48.8 p -169.62 127.63 0.93 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.571 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 9.8 m120 -68.23 152.11 45.94 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 4.1 tptt -145.14 -90.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.157 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.43 103.15 0.17 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.767 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.493 ' HA ' ' CA ' ' K' ' 29' ' ' GLY . . . -88.1 153.26 21.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.597 0.237 . . . . 10.0 110.704 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.781 HG13 ' HA ' ' B' ' 41' ' ' ILE . 22.0 mm -97.01 100.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 32.0 mt -113.32 108.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.075 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.22 117.36 5.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 10.0 111.581 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.04 85.92 2.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.0 mpt? -118.44 85.28 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.459 0.647 . . . . 10.0 111.239 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.506 HG13 ' HB ' ' K' ' 36' ' ' VAL . 34.1 t -97.26 130.37 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.287 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.17 123.64 5.49 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.631 -0.795 . . . . 10.0 112.353 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' K' ' 38' ' ' GLY . . . -142.7 116.13 1.0 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.167 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' K' ' 39' ' ' VAL . 28.6 m -125.27 141.23 45.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 10.0 110.581 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -127.77 137.54 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.896 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 41' ' ' ILE . . . . . 0.81 ' HA ' HG13 ' B' ' 31' ' ' ILE . 18.2 tt -64.21 130.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 10.0 111.158 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.675 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' K' K ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.338 0.59 . . . . 10.0 111.254 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 m -91.42 116.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 10.0 112.521 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -87.38 99.62 12.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -85.68 112.74 21.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.158 0.504 . . . . 10.0 111.933 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 15' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 15.0 tt0 -128.71 91.09 3.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.101 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.74 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -116.59 114.41 24.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' L' ' 18' ' ' VAL . 7.1 p -135.16 131.51 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.005 0.742 . . . . 10.0 113.005 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -121.33 128.37 52.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.883 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -110.32 104.34 13.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.692 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.62 113.11 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 22' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 51.2 mt-10 -105.63 146.98 28.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.918 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' J' ' 22' ' ' GLU . 2.4 t70 -139.45 126.29 20.83 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.016 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 12.1 m -137.6 14.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' L' ' 25' ' ' GLY . . . -130.11 -70.07 0.11 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.075 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.93 82.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 0.124 . . . . 10.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 27' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' J' ' 26' ' ' SER . 58.6 t30 -50.01 144.23 7.04 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 28' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' J' ' 28' ' ' LYS . 29.3 tttt -129.77 -105.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.485 -0.779 . . . . 10.0 111.03 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 29' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' J' ' 30' ' ' ALA . . . -168.27 110.24 0.38 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 119.999 -1.096 . . . . 10.0 113.431 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 30' ' ' ALA . . . . . 0.525 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.89 148.13 27.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 31' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' L' ' 31' ' ' ILE . 0.1 OUTLIER -102.43 90.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' K' K ' 32' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' L' ' 32' ' ' ILE . 34.7 pt -112.9 131.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 10.0 111.795 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.22 115.22 2.47 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.009 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.54 96.87 6.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.006 0.431 . . . . 10.0 110.154 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' K' K ' 35' ' ' MET . . . . . 0.547 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 4.1 mpp? -119.77 95.47 4.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.241 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 36' ' ' VAL . . . . . 0.506 ' HB ' HG13 ' J' ' 36' ' ' VAL . 40.7 t -102.24 121.98 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.563 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 37' ' ' GLY . . . . . 0.441 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -115.88 116.15 3.57 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.965 -0.636 . . . . 10.0 112.378 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 38' ' ' GLY . . . . . 0.46 ' O ' ' HA2' ' J' ' 38' ' ' GLY . . . -129.23 124.69 4.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.69 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' J' ' 39' ' ' VAL . 7.7 p -125.29 121.42 60.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.389 0.614 . . . . 10.0 111.024 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.009 -179.222 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' L' L ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 31.7 mt-10 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 12' ' ' VAL . . . . . 0.458 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 5.3 p -71.73 142.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 112.041 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -81.93 135.36 35.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.557 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -128.09 104.13 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.486 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 15' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 28.8 pt20 -125.83 138.42 53.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.387 0.613 . . . . 10.0 112.371 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -133.77 120.8 20.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.402 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -111.01 115.96 30.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.488 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 18' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' M' ' 18' ' ' VAL . 7.7 t -125.18 122.45 63.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.031 0.443 . . . . 10.0 111.12 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -119.21 122.81 42.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.308 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 98.1 m-85 -102.18 126.82 49.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.638 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.29 97.77 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -99.35 93.68 6.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 1.0 OUTLIER -87.35 114.53 24.05 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 179.59 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' L' L ' 24' ' ' VAL . . . . . 0.55 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 61.4 t -111.79 -25.45 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.828 0.347 . . . . 10.0 111.185 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -98.61 -118.94 4.04 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.6 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -100.16 95.39 6.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.21 145.03 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.608 0.567 . . . . 10.0 112.152 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 28' ' ' LYS . . . . . 0.777 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 27.6 tttm -136.2 -85.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.007 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 29' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 152.85 123.19 0.96 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.125 -1.035 . . . . 10.0 112.943 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 30' ' ' ALA . . . . . 0.55 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -92.21 159.04 15.83 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.162 -0.31 . . . . 10.0 110.162 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 31' ' ' ILE . . . . . 0.497 ' HB ' HD12 ' K' ' 31' ' ' ILE . 3.6 tp -111.21 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.692 0.758 . . . . 10.0 110.14 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 32' ' ' ILE . . . . . 0.828 HG22 ' HB ' ' M' ' 32' ' ' ILE . 6.0 pt -124.43 135.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.374 -0.83 . . . . 10.0 111.333 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.96 128.14 7.12 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.417 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.33 94.32 5.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 35' ' ' MET . . . . . 0.408 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 3.1 mpp? -114.09 96.93 6.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.479 0.657 . . . . 10.0 111.562 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 36' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' K' ' 36' ' ' VAL . 48.0 t -106.84 128.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 37' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' K' ' 37' ' ' GLY . . . -130.89 132.22 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.286 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.82 135.79 5.88 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.379 -0.915 . . . . 10.0 112.799 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' L' L ' 39' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' M' ' 39' ' ' VAL . 1.5 m -127.24 151.28 33.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 40' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' M' ' 40' ' ' VAL . 9.9 p -153.58 154.03 7.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.378 . . . . 10.0 111.686 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 41' ' ' ILE . . . . . 0.648 HD11 HG12 ' E' ' 31' ' ' ILE . 23.0 mm -72.57 131.49 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.945 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.463 179.538 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' M' M ' 11' ' ' GLU . . . . . 0.848 ' HA ' HG22 ' N' ' 12' ' ' VAL . 1.5 mp0 . . . . . 0 CA--C 1.524 -0.045 0 CA-C-O 121.482 0.658 . . . . 10.0 110.518 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 12' ' ' VAL . . . . . 0.415 HG12 HG12 ' L' ' 12' ' ' VAL . 27.8 m -73.1 131.31 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.769 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -73.43 118.08 15.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.601 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -102.89 110.33 22.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.223 0.535 . . . . 10.0 111.602 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 15' ' ' GLN . . . . . 0.478 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 0.7 OUTLIER -119.01 121.12 39.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.249 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -132.58 125.68 31.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.101 0.477 . . . . 10.0 111.258 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 33.2 mt -120.97 111.03 16.99 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.6 OUTLIER -124.7 126.24 71.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.27 0.557 . . . . 10.0 112.482 -178.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 19' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' M' ' 34' ' ' LEU . 26.7 m-85 -122.28 124.1 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.893 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 49.8 m-85 -106.91 100.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.46 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.11 108.94 20.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.19 132.45 56.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.821 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 143.19 51.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.223 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 24' ' ' VAL . . . . . 0.55 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -138.57 18.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.017 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 25' ' ' GLY . . . . . 0.486 ' O ' ' HA3' ' L' ' 25' ' ' GLY . . . -152.56 -67.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.621 -1.276 . . . . 10.0 114.253 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.9 121.51 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.544 -0.386 . . . . 10.0 110.297 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -84.56 150.96 24.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.142 0.496 . . . . 10.0 111.078 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 28' ' ' LYS . . . . . 0.777 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 2.1 tttt -139.94 -112.9 0.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.057 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 29' ' ' GLY . . . . . 0.55 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . -175.05 112.52 0.41 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.123 -1.037 . . . . 10.0 113.14 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 30' ' ' ALA . . . . . 0.481 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -83.68 154.18 23.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 31' ' ' ILE . . . . . 0.56 HG12 HD11 ' D' ' 41' ' ' ILE . 0.7 OUTLIER -109.57 96.02 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' M' M ' 32' ' ' ILE . . . . . 0.828 ' HB ' HG22 ' L' ' 32' ' ' ILE . 26.4 mt -122.36 126.45 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 10.0 111.095 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.23 114.25 2.44 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.852 -0.689 . . . . 10.0 111.877 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 34' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.0 mp -103.3 106.62 17.18 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 35' ' ' MET . . . . . 0.849 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.0 mmt -118.96 101.36 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.233 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 36' ' ' VAL . . . . . 0.42 HG11 HE22 ' M' ' 15' ' ' GLN . 31.1 t -109.7 117.72 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 37' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -122.85 123.59 5.4 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.529 -0.843 . . . . 10.0 112.741 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.64 128.08 5.61 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' M' M ' 39' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.3 p -117.97 114.06 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.274 0.559 . . . . 10.0 110.576 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' M' M ' 40' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' L' ' 40' ' ' VAL . 26.2 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.196 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.958 0.409 . . . . 10.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' N' N ' 12' ' ' VAL . . . . . 0.975 ' HB ' HG12 ' O' ' 12' ' ' VAL . 6.2 t -102.0 127.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.804 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -97.87 129.95 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.113 0.482 . . . . 10.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -124.32 114.41 19.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.163 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -122.71 114.22 20.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.867 0.365 . . . . 10.0 110.904 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -128.72 116.95 20.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.455 0.645 . . . . 10.0 111.914 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.91 118.13 35.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.174 -0.921 . . . . 10.0 109.405 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 18' ' ' VAL . . . . . 0.834 ' HB ' HG12 ' O' ' 18' ' ' VAL . 5.1 t -121.49 115.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.073 0.463 . . . . 10.0 110.416 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.29 125.41 51.03 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.595 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.26 86.35 2.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -109.48 116.51 31.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.062 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' O' ' 23' ' ' ASP . 43.3 m-20 -116.76 118.66 33.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 24' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' O' ' 24' ' ' VAL . 32.7 m -98.71 9.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.64 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.28 -86.43 1.1 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.728 -0.749 . . . . 10.0 111.603 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.76 102.67 3.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.825 -0.435 . . . . 10.0 109.825 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 27' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' M' ' 28' ' ' LYS . 1.4 m120 -63.32 145.68 55.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.898 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' M' ' 28' ' ' LYS . 0.0 OUTLIER -127.49 -65.5 0.93 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.706 -0.85 . . . . 10.0 108.706 178.618 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' N' N ' 29' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 133.98 120.22 2.06 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 119.962 -1.113 . . . . 10.0 113.538 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 30' ' ' ALA . . . . . 0.486 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -95.47 165.89 12.13 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 31' ' ' ILE . . . . . 0.644 HG12 HG13 ' F' ' 39' ' ' VAL . 12.6 tt -110.99 113.82 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.821 0.82 . . . . 10.0 111.236 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 32' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' M' ' 32' ' ' ILE . 16.6 mt -120.07 122.31 68.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.642 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.44 113.56 3.28 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 111.381 -0.688 . . . . 10.0 111.381 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 34' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.3 mm? -104.62 101.88 11.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 35' ' ' MET . . . . . 0.53 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 1.8 mpt? -118.79 100.32 7.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.194 0.521 . . . . 10.0 111.037 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 t -110.32 130.36 63.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.914 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -134.52 134.28 7.29 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.691 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.11 135.41 7.89 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' N' N ' 39' ' ' VAL . . . . . 0.599 HG13 HG12 ' F' ' 31' ' ' ILE . 46.2 t -125.59 126.62 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 40' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 5.3 p -150.22 131.84 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 41' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' P' ' 42' ' ' ALA . 8.9 pt -80.42 135.29 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.561 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.234 0.54 . . . . 10.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' O' O ' 12' ' ' VAL . . . . . 0.975 HG12 ' HB ' ' N' ' 12' ' ' VAL . 11.0 m -123.67 131.34 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.283 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.42 102.59 15.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.813 -1.18 . . . . 10.0 107.813 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.81 110.44 22.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.12 0.486 . . . . 10.0 112.071 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.98 100.76 10.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -112.27 111.75 22.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.915 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -115.85 118.57 33.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 18' ' ' VAL . . . . . 0.834 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.8 m -130.37 131.53 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.786 0.662 . . . . 10.0 112.786 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -126.49 123.9 38.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.075 -0.966 . . . . 10.0 109.147 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.97 105.44 15.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.901 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.07 119.15 34.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 22' ' ' GLU . . . . . 0.686 ' HG3' ' HB3' ' P' ' 22' ' ' GLU . 1.6 pt-20 -137.69 129.0 27.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.564 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 23' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' P' ' 27' ' ' ASN . 4.7 t70 -112.74 143.08 44.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.991 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 24' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' N' ' 24' ' ' VAL . 24.5 t -119.62 -1.28 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.374 0.607 . . . . 10.0 110.162 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 25' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -127.67 -69.42 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.325 -0.941 . . . . 10.0 113.491 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -157.21 110.84 2.59 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.754 -0.263 . . . . 10.0 110.772 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 27' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 22.2 t-20 -64.07 148.9 48.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.252 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 28' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 56.2 tttp -126.02 -77.5 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.565 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 159.07 114.31 0.38 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.894 -1.146 . . . . 10.0 112.942 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.16 163.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 40.9 mt -109.35 98.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -111.55 115.46 49.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.289 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 33' ' ' GLY . . . . . 0.424 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.6 122.65 5.22 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.323 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.13 107.54 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 35' ' ' MET . . . . . 0.763 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 2.2 mpt? -118.57 103.47 9.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.407 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -113.2 115.63 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.842 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 37' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -129.77 121.55 3.47 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.029 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 139.19 10.52 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.428 -0.892 . . . . 10.0 112.956 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' O' O ' 39' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' N' ' 39' ' ' VAL . 19.5 m -120.4 143.66 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.855 0.36 . . . . 10.0 110.336 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' O' O ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.6 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.808 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 12' ' ' VAL . . . . . 0.557 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -79.77 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -67.52 133.18 49.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -114.93 96.19 5.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -94.21 121.93 36.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.022 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -133.02 113.83 13.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.474 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.0 119.15 33.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.781 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.81 124.44 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.529 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -130.59 137.11 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 10.0 110.841 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -113.79 130.03 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.75 73.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 22' ' ' GLU . . . . . 0.686 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -103.49 151.65 22.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.747 -179.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 23' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' P' ' 25' ' ' GLY . 0.4 OUTLIER -144.89 148.2 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.246 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 24' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.4 t -122.48 13.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 10.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 25' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -130.03 -62.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.508 -0.854 . . . . 10.0 112.248 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -159.43 98.19 1.39 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 27' ' ' ASN . . . . . 0.816 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 38.9 t-20 -49.07 119.62 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.826 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' O' ' 28' ' ' LYS . 42.3 tttp -95.33 -87.29 0.28 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.232 0.539 . . . . 10.0 110.31 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.3 1.59 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.904 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.27 176.25 5.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 31' ' ' ILE . . . . . 0.486 HD11 ' HB ' ' H' ' 39' ' ' VAL . 0.0 OUTLIER -103.91 115.68 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.05 0.452 . . . . 10.0 110.581 179.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mt -121.5 118.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.375 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' CG1' ' H' ' 39' ' ' VAL . . . -116.32 121.18 5.12 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.589 -0.815 . . . . 10.0 112.816 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 34' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' P' ' 34' ' ' LEU . 2.7 mm? -111.15 87.43 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.361 . . . . 10.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 35' ' ' MET . . . . . 0.612 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 4.7 mpp? -97.54 101.31 12.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.992 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 37.5 t -109.37 122.17 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.834 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 37' ' ' GLY . . . . . 0.438 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -119.3 154.93 16.26 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.318 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.77 132.31 3.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.117 -0.563 . . . . 10.0 111.808 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 39' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' P' ' 40' ' ' VAL . 0.8 OUTLIER -132.41 143.7 39.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.66 0.267 . . . . 10.0 111.613 -179.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' P' P ' 40' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' P' ' 39' ' ' VAL . 7.2 p 177.48 164.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.47 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -169.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.159 -0.312 . . . . 10.0 110.159 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 42' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.742 -0.647 . . . . 10.0 109.755 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.783 ' HB2' HG21 ' B' ' 12' ' ' VAL . 4.1 mm-40 . . . . . 0 N--CA 1.481 1.117 0 CA-C-O 120.702 0.287 . . . . 10.0 110.439 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.34 149.0 11.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 116.413 -0.358 . . . . 10.0 110.593 -179.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.484 ' CD2' ' HB2' ' A' ' 15' ' ' GLN . 6.8 t60 -66.89 117.55 9.15 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 108.874 -0.788 . . . . 10.0 108.874 178.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -98.67 84.97 3.23 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.128 0.489 . . . . 10.0 111.461 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.484 ' HB2' ' CD2' ' A' ' 13' ' ' HIS . 50.4 tp60 -97.13 119.29 35.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.514 -0.766 . . . . 10.0 109.914 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -130.18 121.52 26.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.963 0.411 . . . . 10.0 111.565 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.614 HD13 HD23 ' A' ' 34' ' ' LEU . 18.8 mt -121.17 109.8 15.43 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.56 -0.904 . . . . 10.0 108.56 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.33 130.38 67.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.714 0.635 . . . . 10.0 112.714 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -121.72 120.75 35.58 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.319 -0.855 . . . . 10.0 109.394 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 64.7 m-85 -113.06 109.57 19.04 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.555 -0.293 . . . . 10.0 111.003 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -110.0 136.36 49.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.192 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.765 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.8 mm-40 -87.35 167.99 13.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.088 0.471 . . . . 10.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -144.2 94.17 2.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.572 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.767 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 43.0 t -132.21 -40.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 110.189 178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.709 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.94 -154.84 30.94 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.832 -0.699 . . . . 10.0 112.421 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.512 ' O ' ' HB2' ' B' ' 27' ' ' ASN . 0.9 OUTLIER -74.26 125.48 28.53 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.63 -0.137 . . . . 10.0 110.63 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -59.32 149.82 27.8 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 112.163 0.431 . . . . 10.0 112.163 -179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 30.8 tptt -150.71 -108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.628 179.062 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.479 ' H ' ' HB3' ' A' ' 28' ' ' LYS . . . 165.01 125.06 0.74 Allowed Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.368 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.642 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.7 153.6 20.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.696 0.284 . . . . 10.0 111.246 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.671 ' HB ' HD13 ' B' ' 31' ' ' ILE . 36.8 mm -103.89 98.34 6.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 121.244 0.545 . . . . 10.0 110.145 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 HG22 ' HB ' ' B' ' 32' ' ' ILE . 21.0 pt -111.27 135.91 48.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.113 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.57 96.65 0.54 Allowed Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 111.147 -0.781 . . . . 10.0 111.147 179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.614 HD23 HD13 ' A' ' 17' ' ' LEU . 7.4 mp -92.02 85.81 5.64 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.155 0.503 . . . . 10.0 111.37 -179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -114.44 65.62 0.67 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.518 0.675 . . . . 10.0 110.35 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 33.7 t -83.45 124.42 39.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.216 -0.902 . . . . 10.0 109.959 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -111.06 123.09 6.37 Favored Glycine 0 N--CA 1.443 -0.892 0 C-N-CA 120.904 -0.665 . . . . 10.0 112.05 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.52 106.57 0.37 Allowed Glycine 0 N--CA 1.446 -0.678 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.365 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.5 p -141.88 140.2 30.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.052 0.453 . . . . 10.0 110.944 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' B' ' 40' ' ' VAL . 61.9 t . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.492 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 120.818 0.342 . . . . 10.0 110.794 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.783 HG21 ' HB2' ' A' ' 11' ' ' GLU . 21.0 t -125.6 129.84 72.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 109.011 -0.737 . . . . 10.0 109.011 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -85.23 125.54 32.95 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.826 0.676 . . . . 10.0 112.826 -178.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -121.69 79.33 1.55 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.194 -0.912 . . . . 10.0 108.972 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -97.99 125.04 42.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.516 -0.765 . . . . 10.0 111.713 -178.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -133.01 122.24 23.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.663 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.492 ' HB2' HD23 ' A' ' 17' ' ' LEU . 7.2 mp -112.51 115.18 28.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.704 179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.5 t -119.41 118.9 58.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.003 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -120.34 121.36 38.45 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.982 0.42 . . . . 10.0 111.617 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -106.7 125.48 51.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.714 -0.675 . . . . 10.0 109.88 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.448 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -134.39 107.62 7.71 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.72 -0.474 . . . . 10.0 109.72 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.765 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 33.5 mt-10 -88.9 154.51 20.19 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.471 -0.331 . . . . 10.0 110.512 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.701 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.5 m-20 -144.48 58.35 1.32 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.633 -0.506 . . . . 10.0 109.633 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.767 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 62.4 t -76.54 -25.4 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.97 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -90.03 -62.42 1.3 Allowed Glycine 0 N--CA 1.443 -0.865 0 C-N-CA 120.178 -1.01 . . . . 10.0 111.335 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.709 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 21.9 p -166.99 124.02 1.22 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.701 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 9.7 m120 -61.98 153.02 30.65 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 123.614 0.571 . . . . 10.0 110.531 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.597 ' HB3' ' O ' ' C' ' 28' ' ' LYS . 21.4 tptt -147.74 -111.5 0.08 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.322 -0.399 . . . . 10.0 110.714 178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.642 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . -179.24 105.59 0.2 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.017 -1.087 . . . . 10.0 112.767 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -88.13 156.45 19.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.574 0.226 . . . . 10.0 110.633 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.918 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.0 mm -100.53 101.97 12.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 108.699 -0.852 . . . . 10.0 108.699 179.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.475 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -116.2 106.52 20.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.095 -0.502 . . . . 10.0 110.748 -179.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.96 115.8 5.4 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.809 -0.71 . . . . 10.0 112.012 179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -110.27 90.61 3.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.466 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 1.5 mpt? -121.26 78.98 1.47 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.328 0.585 . . . . 10.0 111.134 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.691 HG13 ' HB ' ' C' ' 36' ' ' VAL . 44.7 t -96.81 130.84 44.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.534 -0.757 . . . . 10.0 109.143 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.75 122.45 5.02 Favored Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.569 -0.824 . . . . 10.0 112.826 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -136.25 116.69 1.49 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.881 -0.676 . . . . 10.0 111.553 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' C' ' 39' ' ' VAL . 34.8 m -129.41 143.54 40.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.032 0.444 . . . . 10.0 110.688 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.555 ' HB ' HG13 ' A' ' 40' ' ' VAL . 41.5 t -130.09 140.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.937 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.937 ' HA ' HG13 ' J' ' 31' ' ' ILE . 7.2 tp -62.2 135.38 26.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.045 0.45 . . . . 10.0 111.094 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.585 179.699 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 121.728 0.775 . . . . 10.0 110.522 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 8.5 m -84.27 120.75 35.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 114.994 -1.003 . . . . 10.0 111.762 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -74.35 87.05 2.0 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.543 -0.753 . . . . 10.0 109.383 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.532 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.1 m170 -74.44 112.93 11.1 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.247 0.546 . . . . 10.0 111.651 -179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -124.05 100.1 6.56 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.568 -0.742 . . . . 10.0 109.23 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -110.43 118.17 35.56 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.073 -0.512 . . . . 10.0 112.011 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.464 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 52.5 mt -119.2 109.17 15.55 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.998 -1.112 . . . . 10.0 107.998 178.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' D' ' 18' ' ' VAL . 9.8 p -131.28 131.73 63.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 113.075 0.768 . . . . 10.0 113.075 -178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.427 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 16.2 m-85 -122.08 129.1 52.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.091 -0.959 . . . . 10.0 109.732 179.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -111.37 97.43 6.76 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.233 -0.44 . . . . 10.0 111.178 -179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 112.62 25.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.869 0.366 . . . . 10.0 110.168 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 53.2 mt-10 -103.7 153.79 20.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.053 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.564 ' HB2' HD21 ' D' ' 27' ' ' ASN . 2.6 t70 -146.52 124.89 12.3 Favored 'General case' 0 CA--C 1.51 -0.589 0 CA-C-N 116.246 -0.434 . . . . 10.0 110.832 179.008 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.496 HG23 ' HA ' ' D' ' 24' ' ' VAL . 1.7 m -138.93 19.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 N-CA-C 108.887 -0.782 . . . . 10.0 108.887 177.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -135.78 -64.72 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 CA-C-N 115.659 -0.7 . . . . 10.0 112.481 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -170.58 82.55 0.1 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.796 0.298 . . . . 10.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.455 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 58.2 t30 -52.29 145.0 11.7 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -179.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.597 ' O ' ' HB3' ' B' ' 28' ' ' LYS . 69.0 tttt -132.03 -105.87 0.26 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.671 -0.695 . . . . 10.0 111.156 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -162.64 107.46 0.31 Allowed Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 119.394 -1.384 . . . . 10.0 113.963 -179.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -80.23 147.77 31.1 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.72 -0.844 . . . . 10.0 108.72 178.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.584 ' HB ' HD13 ' D' ' 31' ' ' ILE . 0.5 OUTLIER -107.91 92.63 2.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.111 0.481 . . . . 10.0 110.217 -179.207 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.822 HG22 ' HB ' ' D' ' 32' ' ' ILE . 15.4 pt -116.3 132.53 65.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.406 0.622 . . . . 10.0 112.138 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.73 114.47 2.45 Favored Glycine 0 N--CA 1.445 -0.755 0 CA-C-N 115.321 -0.854 . . . . 10.0 111.584 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.463 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.4 mp -106.49 102.54 11.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.79 0.328 . . . . 10.0 110.372 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.466 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 2.2 mpt? -124.92 91.84 3.52 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.299 0.571 . . . . 10.0 110.957 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.691 ' HB ' HG13 ' B' ' 36' ' ' VAL . 46.4 t -98.61 123.8 51.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.125 -0.695 . . . . 10.0 109.125 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.98 122.04 5.34 Favored Glycine 0 N--CA 1.444 -0.805 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.703 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . 0.422 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -135.7 124.58 3.34 Favored Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 121.077 -0.582 . . . . 10.0 112.034 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.55 HG23 HG23 ' B' ' 39' ' ' VAL . 4.4 p -130.12 121.16 51.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.436 0.636 . . . . 10.0 111.023 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' D' ' 42' ' ' ALA . 28.6 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.692 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.586 ' HG3' ' HB2' ' E' ' 11' ' ' GLU . 4.8 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 N-CA-C 111.953 0.353 . . . . 10.0 111.953 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.9 p -104.91 131.22 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.902 0.382 . . . . 10.0 111.651 -179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.625 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 5.2 t-160 -86.78 126.83 34.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.929 -0.578 . . . . 10.0 111.56 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.532 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 96.8 m-70 -124.6 98.42 5.72 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.569 -0.9 . . . . 10.0 108.569 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -109.33 128.89 55.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.141 0.496 . . . . 10.0 111.503 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -131.56 114.98 15.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.699 -0.682 . . . . 10.0 111.053 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.6 mp -110.84 115.34 29.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.649 -0.705 . . . . 10.0 109.38 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.51 HG13 HG13 ' C' ' 18' ' ' VAL . 11.9 t -124.14 122.75 65.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.821 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.449 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 41.3 m-85 -121.4 126.6 49.76 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.593 179.552 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -105.49 127.56 53.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.233 -0.439 . . . . 10.0 111.027 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.48 98.04 4.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.104 -0.702 . . . . 10.0 109.104 179.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -102.06 90.69 4.03 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.853 -179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.409 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -84.66 113.54 21.35 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.519 -0.549 . . . . 10.0 109.519 179.627 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.496 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.8 t -111.25 -30.56 2.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 N-CA-C 112.084 0.402 . . . . 10.0 112.084 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.98 -94.12 0.99 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.372 -179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.442 ' C ' HD22 ' E' ' 27' ' ' ASN . 23.6 m -132.6 103.33 6.09 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.564 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -56.01 149.66 15.01 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.652 -0.704 . . . . 10.0 112.132 -178.54 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.778 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 11.2 tttm -141.01 -78.51 0.28 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 10.0 111.114 178.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.472 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 150.91 119.82 0.91 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.464 179.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.553 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -99.81 164.31 12.09 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.494 0.187 . . . . 10.0 110.746 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.584 HD13 ' HB ' ' C' ' 31' ' ' ILE . 1.8 mm -105.07 115.81 47.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 109.231 -0.655 . . . . 10.0 109.231 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.822 ' HB ' HG22 ' C' ' 32' ' ' ILE . 76.5 mt -131.32 114.93 27.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.921 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.584 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -109.19 118.46 5.23 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.675 -0.774 . . . . 10.0 112.395 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.463 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.4 mm? -108.09 97.16 6.9 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.607 ' HB2' ' HG3' ' E' ' 35' ' ' MET . 1.7 mpt? -118.43 92.45 3.82 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.374 0.607 . . . . 10.0 111.045 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.58 ' HB ' HG13 ' C' ' 36' ' ' VAL . 61.8 t -98.08 121.9 49.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.783 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.425 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -116.76 118.24 4.1 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.335 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.35 127.63 4.76 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.612 -0.804 . . . . 10.0 112.39 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.638 HG11 ' HA3' ' L' ' 33' ' ' GLY . 11.0 m -133.08 144.69 35.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 110.207 -0.294 . . . . 10.0 110.207 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.485 HG13 HG13 ' C' ' 40' ' ' VAL . 7.3 p -154.41 140.73 11.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.136 0.494 . . . . 10.0 111.985 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.414 HG12 HG23 ' M' ' 31' ' ' ILE . 18.0 mm -75.35 122.28 28.78 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.16 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . 0.557 ' HB2' HG12 ' C' ' 40' ' ' VAL . . . . . . . . 0 C--O 1.238 0.455 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.206 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.586 ' HB2' ' HG3' ' D' ' 11' ' ' GLU . 2.2 mp0 . . . . . 0 CA--C 1.521 -0.169 0 CA-C-O 121.812 0.815 . . . . 10.0 109.785 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.476 ' HB ' ' HD2' ' D' ' 14' ' ' HIS . 29.1 m -78.03 145.22 10.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 114.882 -1.054 . . . . 10.0 111.391 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.625 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 5.8 t60 -97.89 91.56 5.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.385 -0.969 . . . . 10.0 108.385 178.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -85.98 109.48 18.81 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.166 0.507 . . . . 10.0 111.014 -179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 49.8 tt0 -119.27 105.84 11.74 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.647 -0.706 . . . . 10.0 109.43 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -119.23 120.99 38.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.08 0.467 . . . . 10.0 112.049 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 40.6 mt -120.76 109.8 15.6 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.703 -0.851 . . . . 10.0 108.703 179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 6.8 t -125.24 128.08 72.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.113 0.482 . . . . 10.0 111.971 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.412 ' CE1' HD21 ' E' ' 34' ' ' LEU . 22.7 m-85 -123.41 125.63 45.31 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.715 -0.675 . . . . 10.0 110.069 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -104.92 106.88 17.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.05 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.96 104.2 11.92 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.187 -0.672 . . . . 10.0 109.187 178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 62.3 mt-10 -113.44 139.52 48.84 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.578 -178.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -128.57 145.63 51.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.648 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.474 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.8 OUTLIER -142.02 20.82 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.922 -0.581 . . . . 10.0 109.878 178.806 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.76 -50.21 0.01 OUTLIER Glycine 0 C--N 1.331 0.284 0 C-N-CA 119.687 -1.244 . . . . 10.0 114.429 -178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.84 125.99 1.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 117.033 0.417 . . . . 10.0 110.98 -179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.442 HD22 ' C ' ' D' ' 26' ' ' SER . 5.2 m-80 -92.37 149.53 21.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.365 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.778 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 59.4 tttt -132.72 -92.38 0.37 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.23 179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.553 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . 173.03 106.81 0.2 Allowed Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.142 -179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.626 ' HA ' ' CA ' ' F' ' 29' ' ' GLY . . . -82.98 166.07 19.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.684 ' HB ' HD12 ' F' ' 31' ' ' ILE . 0.3 OUTLIER -120.48 90.58 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.593 -0.521 . . . . 10.0 109.593 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 20.5 mt -113.88 121.97 67.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-O 121.015 0.436 . . . . 10.0 111.349 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.89 120.56 4.52 Favored Glycine 0 N--CA 1.446 -0.695 0 CA-C-N 115.756 -0.656 . . . . 10.0 111.762 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.659 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.8 mp -114.07 100.19 8.2 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.607 ' HG3' ' HB2' ' D' ' 35' ' ' MET . 2.7 mpt? -122.16 100.65 7.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.27 0.557 . . . . 10.0 110.773 -179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.563 HG12 ' HB ' ' F' ' 36' ' ' VAL . 16.2 m -109.8 139.5 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.489 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.93 122.65 4.18 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.781 -0.723 . . . . 10.0 112.708 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.67 1.21 Allowed Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.879 -0.677 . . . . 10.0 111.68 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.542 HG23 ' CG2' ' D' ' 39' ' ' VAL . 13.9 p -107.51 109.8 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.514 0.674 . . . . 10.0 110.737 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 C--O 1.235 0.31 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.887 -179.526 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' G' ' 11' ' ' GLU . 1.0 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 121.102 0.477 . . . . 10.0 110.731 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.609 ' HB ' HG12 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -109.54 108.93 26.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.898 -0.592 . . . . 10.0 109.561 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 55.5 t60 -85.84 124.7 32.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.649 0.261 . . . . 10.0 111.225 -178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -126.0 90.19 3.15 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.058 0.456 . . . . 10.0 110.12 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.474 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 7.1 tt0 -107.44 118.7 37.4 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.422 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.434 ' HE3' ' HB2' ' F' ' 16' ' ' LYS . 19.2 ptmt -131.79 122.23 25.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.529 0.681 . . . . 10.0 111.953 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.466 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -116.22 115.35 25.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.111 -0.95 . . . . 10.0 108.875 179.154 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.68 ' HB ' HG12 ' G' ' 18' ' ' VAL . 20.4 t -123.44 119.61 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.992 0.425 . . . . 10.0 110.634 -179.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.441 ' HE2' HG21 ' G' ' 32' ' ' ILE . 18.9 m-85 -117.11 126.33 52.66 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.56 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -102.82 125.93 49.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.653 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.77 84.76 2.09 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -108.15 107.57 18.27 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.926 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.664 ' HA ' ' HB3' ' G' ' 23' ' ' ASP . 47.7 m-20 -106.89 124.45 49.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.208 -0.451 . . . . 10.0 110.036 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.454 HG22 ' O ' ' G' ' 23' ' ' ASP . 18.7 m -103.9 -0.9 9.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.525 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -113.53 -82.83 1.16 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.382 -0.913 . . . . 10.0 112.388 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -139.97 111.12 7.0 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.611 -0.514 . . . . 10.0 109.611 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -74.11 141.69 45.61 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.84 -0.429 . . . . 10.0 109.84 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.538 ' HB3' ' O ' ' G' ' 28' ' ' LYS . 0.3 OUTLIER -122.58 -90.32 0.58 Allowed 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.972 -0.381 . . . . 10.0 109.972 178.613 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.626 ' CA ' ' HA ' ' E' ' 30' ' ' ALA . . . 166.95 113.27 0.27 Allowed Glycine 0 N--CA 1.439 -1.126 0 C-N-CA 120.011 -1.09 . . . . 10.0 112.739 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.458 ' HA ' ' CA ' ' G' ' 29' ' ' GLY . . . -91.54 154.83 18.82 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.678 -0.489 . . . . 10.0 109.678 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.684 HD12 ' HB ' ' E' ' 31' ' ' ILE . 6.3 tp -100.59 100.34 10.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.621 0.724 . . . . 10.0 109.781 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.458 HG12 HD12 ' G' ' 32' ' ' ILE . 28.1 mt -115.18 123.65 71.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.538 -0.756 . . . . 10.0 111.243 -178.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.481 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -123.43 116.99 3.07 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 111.575 -0.61 . . . . 10.0 111.575 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.659 HD23 ' HG ' ' E' ' 34' ' ' LEU . 1.9 mm? -108.41 102.63 11.72 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.479 ' HG2' ' CA ' ' N' ' 37' ' ' GLY . 2.0 mpp? -117.37 101.95 8.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.093 0.473 . . . . 10.0 111.126 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.563 ' HB ' HG12 ' E' ' 36' ' ' VAL . 59.4 t -111.89 124.51 68.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.831 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.463 ' CA ' ' HG2' ' N' ' 35' ' ' MET . . . -123.27 130.92 7.94 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.784 -0.722 . . . . 10.0 113.015 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.65 130.92 6.91 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.923 -0.656 . . . . 10.0 111.885 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.734 ' HB ' HG12 ' G' ' 39' ' ' VAL . 87.7 t -124.86 124.33 67.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 109.636 -0.505 . . . . 10.0 109.636 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 7.4 p -148.75 138.91 16.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.777 0.322 . . . . 10.0 111.807 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 11.3 mt -73.59 121.13 23.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.392 -0.367 . . . . 10.0 110.014 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 10.0 111.011 179.725 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.461 ' C ' HG11 ' H' ' 12' ' ' VAL . 16.1 mm-40 . . . . . 0 C--O 1.234 0.244 0 CA-C-O 121.194 0.521 . . . . 10.0 110.2 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.609 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.4 m -110.03 131.72 60.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 112.844 0.683 . . . . 10.0 112.844 -178.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -96.92 93.25 6.52 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.858 -1.164 . . . . 10.0 107.858 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -85.25 98.64 10.62 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.41 -179.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.474 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 1.1 tt0 -106.87 95.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.293 -0.632 . . . . 10.0 109.293 178.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 tmmm? -110.41 117.47 33.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.94 -0.573 . . . . 10.0 111.8 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.627 HD13 HD23 ' G' ' 34' ' ' LEU . 21.6 mt -123.32 112.42 17.59 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 108.811 -0.811 . . . . 10.0 108.811 179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.68 HG12 ' HB ' ' F' ' 18' ' ' VAL . 10.7 m -129.06 137.87 56.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 112.991 0.737 . . . . 10.0 112.991 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -126.1 128.64 47.66 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.055 -0.975 . . . . 10.0 109.199 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -109.9 108.42 18.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.599 -0.273 . . . . 10.0 111.518 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.12 121.47 36.99 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.924 -0.398 . . . . 10.0 109.924 179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -133.3 129.5 37.66 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.664 ' HB3' ' HA ' ' F' ' 23' ' ' ASP . 1.1 t70 -101.54 148.66 24.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.914 -0.585 . . . . 10.0 110.723 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.436 ' HA ' HG22 ' F' ' 24' ' ' VAL . 38.3 t -124.41 -26.95 1.62 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 121.097 0.475 . . . . 10.0 110.775 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.526 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -116.75 -64.4 0.34 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.473 -0.87 . . . . 10.0 113.147 -179.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -159.57 116.81 2.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.737 -0.468 . . . . 10.0 109.737 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.903 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 16.7 t-20 -80.39 154.16 27.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.094 0.473 . . . . 10.0 110.54 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.538 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 1.0 OUTLIER -123.58 -78.04 0.6 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.51 -0.768 . . . . 10.0 110.017 179.783 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.458 ' CA ' ' HA ' ' F' ' 30' ' ' ALA . . . 161.21 119.01 0.5 Allowed Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.238 -0.982 . . . . 10.0 112.99 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.33 160.34 14.47 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 110.416 -0.216 . . . . 10.0 110.416 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.816 HD12 ' HB ' ' H' ' 31' ' ' ILE . 21.6 mt -97.88 99.52 8.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 108.929 -0.767 . . . . 10.0 108.929 179.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.458 HD12 HG12 ' F' ' 32' ' ' ILE . 65.1 mt -110.32 106.86 21.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.908 0.385 . . . . 10.0 110.45 -179.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.546 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -118.84 112.26 2.29 Favored Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.576 -0.821 . . . . 10.0 112.3 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.627 HD23 HD13 ' G' ' 17' ' ' LEU . 8.5 mp -110.4 109.75 20.26 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.828 0.347 . . . . 10.0 110.278 179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.767 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 11.2 mmt -117.21 104.1 10.85 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.884 -0.598 . . . . 10.0 109.823 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 29.7 t -115.04 114.53 46.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.263 -0.426 . . . . 10.0 110.497 -179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.755 ' HA3' ' HG3' ' O' ' 35' ' ' MET . . . -125.83 126.62 5.9 Favored Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.64 -0.791 . . . . 10.0 112.202 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.52 134.15 6.68 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.58 -0.819 . . . . 10.0 112.764 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.734 HG12 ' HB ' ' F' ' 39' ' ' VAL . 32.8 m -121.51 136.88 56.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.76 0.314 . . . . 10.0 110.684 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 2.1 p . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.914 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.517 0.198 . . . . 10.0 110.968 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.588 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.92 143.75 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.406 -0.361 . . . . 10.0 110.86 179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -63.47 122.44 16.26 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 113.598 0.962 . . . . 10.0 113.598 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -119.61 112.82 19.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.648 -0.871 . . . . 10.0 108.648 178.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -115.16 126.87 55.12 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.063 0.459 . . . . 10.0 111.335 -178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 50.9 tttm -132.94 113.03 12.36 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.738 -0.664 . . . . 10.0 110.551 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.424 ' HB2' HD23 ' G' ' 17' ' ' LEU . 5.0 mp -123.93 111.98 16.68 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.228 -0.442 . . . . 10.0 109.885 179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.441 HG13 HG23 ' G' ' 18' ' ' VAL . 18.0 t -119.83 126.86 75.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 10.0 110.228 -179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 -127.54 132.07 49.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.8 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -110.37 131.98 54.58 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.19 87.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.098 -0.501 . . . . 10.0 109.867 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.98 151.85 22.0 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.769 -179.353 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -119.82 155.44 32.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.98 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -134.34 9.88 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.845 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.526 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -170.04 -63.4 0.04 OUTLIER Glycine 0 C--N 1.331 0.255 0 C-N-CA 119.87 -1.157 . . . . 10.0 113.666 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 19.5 m -134.05 92.2 2.92 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 122.353 -0.498 . . . . 10.0 111.023 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.903 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 13.7 t-20 -66.03 138.17 57.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.846 -179.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 29.4 tttp -121.78 -77.1 0.58 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.841 -0.618 . . . . 10.0 109.781 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.97 120.21 3.01 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.503 -0.771 . . . . 10.0 111.69 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.62 172.39 7.52 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 110.366 -0.235 . . . . 10.0 110.366 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.816 ' HB ' HD12 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -89.48 117.57 33.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.147 0.499 . . . . 10.0 111.095 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 15.2 mt -124.53 109.66 23.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.946 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.37 122.79 5.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.034 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -112.73 106.95 15.43 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.054 -0.35 . . . . 10.0 110.054 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.705 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.3 mpp? -107.49 104.86 14.53 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.857 0.361 . . . . 10.0 110.743 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 15.1 t -105.36 126.09 60.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.948 -0.569 . . . . 10.0 110.251 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.659 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -129.69 132.93 7.26 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.719 -0.753 . . . . 10.0 112.341 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.39 134.74 7.33 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 121.114 -0.565 . . . . 10.0 112.28 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' P' ' 31' ' ' ILE . 2.7 m -131.67 139.2 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.459 0.171 . . . . 10.0 110.714 -179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 p -168.24 162.43 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 30.4 pt -84.99 -173.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.618 -0.265 . . . . 10.0 110.587 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.443 -0.789 . . . . 10.0 110.471 179.936 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.759 ' HB2' HG21 ' J' ' 12' ' ' VAL . 3.1 mm-40 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.319 -0.252 . . . . 10.0 110.319 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 8.3 t -103.1 146.49 10.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.822 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.31 112.94 3.29 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 108.561 -0.903 . . . . 10.0 108.561 178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -96.21 92.9 6.61 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.227 0.537 . . . . 10.0 111.665 -179.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -106.4 123.15 47.63 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.613 -0.722 . . . . 10.0 109.192 179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -131.76 124.68 30.22 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.869 0.366 . . . . 10.0 111.407 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.541 HD13 HD23 ' I' ' 34' ' ' LEU . 25.2 mt -123.13 107.66 11.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.666 -0.865 . . . . 10.0 108.666 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -127.09 128.66 70.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 112.776 0.658 . . . . 10.0 112.776 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -120.96 118.65 30.41 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.304 -0.862 . . . . 10.0 109.112 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -109.33 99.46 8.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.389 . . . . 10.0 111.341 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.51 129.44 49.03 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.823 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.816 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 3.8 mm-40 -84.73 173.33 10.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 10.0 111.085 -179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.494 ' HA ' HD21 ' J' ' 27' ' ' ASN . 39.5 t0 -153.42 90.67 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.788 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.809 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 47.0 t -123.09 -41.26 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.783 0.325 . . . . 10.0 110.295 179.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -86.93 -144.77 8.74 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 121.201 -0.523 . . . . 10.0 112.14 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.486 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 2.0 p -83.49 123.85 30.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.925 0.363 . . . . 10.0 110.844 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 m120 -57.75 149.92 21.02 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.842 0.682 . . . . 10.0 112.842 -178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 40.0 tptt -150.49 -106.03 0.07 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.771 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 161.84 121.68 0.59 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.446 -0.883 . . . . 10.0 112.667 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.725 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.67 163.42 19.23 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.718 0.294 . . . . 10.0 111.353 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.599 ' HB ' HD13 ' J' ' 31' ' ' ILE . 41.5 mm -111.71 102.51 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 109.794 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.471 HG22 ' HB ' ' J' ' 32' ' ' ILE . 13.1 pt -115.14 123.11 70.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.544 -179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.42 93.83 0.79 Allowed Glycine 0 N--CA 1.445 -0.732 0 N-CA-C 111.424 -0.67 . . . . 10.0 111.424 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.541 HD23 HD13 ' I' ' 17' ' ' LEU . 6.8 mp -90.19 93.14 9.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.877 0.37 . . . . 10.0 110.83 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.413 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.3 mpt? -123.02 64.88 0.98 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.183 0.516 . . . . 10.0 110.676 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.527 HG13 ' HB ' ' J' ' 36' ' ' VAL . 32.9 t -85.01 123.56 39.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.724 -0.671 . . . . 10.0 109.907 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.5 114.58 3.29 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.762 -0.732 . . . . 10.0 113.156 -179.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.1 117.02 1.65 Allowed Glycine 0 N--CA 1.442 -0.965 0 N-CA-C 111.203 -0.759 . . . . 10.0 111.203 179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.77 141.61 17.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-O 120.909 0.385 . . . . 10.0 111.125 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' J' ' 40' ' ' VAL . 57.5 t . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.516 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 . . . . . 0 C--O 1.233 0.196 0 CA-C-O 121.147 0.499 . . . . 10.0 110.057 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.759 HG21 ' HB2' ' I' ' 11' ' ' GLU . 10.5 t -128.8 127.94 67.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.111 -0.7 . . . . 10.0 109.111 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -83.18 123.34 29.46 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.364 0.505 . . . . 10.0 112.364 -178.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -119.94 78.17 1.31 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.584 -0.895 . . . . 10.0 108.584 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -101.25 122.76 44.25 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.501 -0.772 . . . . 10.0 111.461 -178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -131.5 121.84 25.17 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.35 0.595 . . . . 10.0 111.743 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.447 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.2 mp -108.61 115.99 31.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.292 -0.867 . . . . 10.0 109.559 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.46 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 5.3 t -119.22 117.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.001 -0.545 . . . . 10.0 110.005 -179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -119.9 121.23 38.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.918 0.389 . . . . 10.0 111.617 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -105.82 126.75 52.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.725 -0.67 . . . . 10.0 109.508 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.63 105.89 6.03 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.728 -0.471 . . . . 10.0 109.728 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.816 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.5 mt-10 -88.17 154.99 20.01 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.546 -0.297 . . . . 10.0 110.64 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.682 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 7.6 m-20 -144.23 60.07 1.35 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.592 -0.521 . . . . 10.0 109.592 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.809 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 59.8 t -78.41 -24.76 13.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.944 0.402 . . . . 10.0 111.087 -179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -91.16 -63.85 1.19 Allowed Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.396 -0.907 . . . . 10.0 111.847 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.412 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 95.0 p -162.15 123.14 2.62 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.775 -0.454 . . . . 10.0 109.775 -179.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.682 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 7.9 m120 -64.01 149.25 47.81 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.899 0.38 . . . . 10.0 110.106 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.656 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 10.9 tptt -144.69 -117.37 0.09 Allowed 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.152 -0.477 . . . . 10.0 110.421 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.725 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . -171.89 105.88 0.22 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.173 -1.013 . . . . 10.0 112.636 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.484 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -87.18 154.23 20.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.438 0.161 . . . . 10.0 110.574 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.937 HG13 ' HA ' ' B' ' 41' ' ' ILE . 16.6 mm -99.91 102.07 12.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.02 -0.733 . . . . 10.0 109.02 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.471 ' HB ' HG22 ' I' ' 32' ' ' ILE . 23.9 mt -115.96 108.55 25.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.604 -179.401 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.41 113.76 4.76 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.676 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -108.8 91.6 3.71 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.456 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 1.8 mpt? -122.08 81.38 1.82 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.37 0.605 . . . . 10.0 111.049 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.595 HG13 ' HB ' ' K' ' 36' ' ' VAL . 47.2 t -98.57 131.4 45.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.48 -0.782 . . . . 10.0 109.26 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.99 122.29 5.04 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.746 -0.74 . . . . 10.0 112.561 -179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.77 113.51 1.05 Allowed Glycine 0 N--CA 1.445 -0.747 0 C-N-CA 120.827 -0.702 . . . . 10.0 111.799 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' K' ' 39' ' ' VAL . 34.5 m -128.22 144.56 37.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.055 0.455 . . . . 10.0 111.144 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.449 ' HB ' HG13 ' I' ' 40' ' ' VAL . 39.3 t -130.25 141.46 46.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.08 -0.509 . . . . 10.0 110.1 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.918 ' HA ' HG13 ' B' ' 31' ' ' ILE . 7.0 tp -63.11 132.93 29.13 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-O 120.936 0.398 . . . . 10.0 111.173 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.142 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.234 0.261 0 CA-C-O 121.381 0.61 . . . . 10.0 110.606 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 m -80.01 128.68 38.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.562 -0.744 . . . . 10.0 112.358 -179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -84.17 91.46 7.7 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.151 -0.931 . . . . 10.0 108.87 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -75.36 109.33 8.79 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.271 0.558 . . . . 10.0 112.139 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -120.4 98.77 6.21 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -111.18 118.93 37.29 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.275 -0.421 . . . . 10.0 111.938 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.439 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 43.0 mt -119.86 112.22 18.94 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.197 -1.038 . . . . 10.0 108.197 178.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' L' ' 18' ' ' VAL . 9.1 p -133.51 131.23 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 N-CA-C 112.941 0.719 . . . . 10.0 112.941 -178.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.451 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 15.1 m-85 -121.21 128.63 52.63 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.754 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -110.1 98.83 8.02 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.443 -0.344 . . . . 10.0 110.838 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.65 112.66 25.48 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.938 -0.393 . . . . 10.0 109.938 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 22.6 mt-10 -105.16 154.47 20.15 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.324 -0.398 . . . . 10.0 111.209 -179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.645 ' HB2' HD21 ' L' ' 27' ' ' ASN . 2.7 t70 -147.12 122.68 10.44 Favored 'General case' 0 CA--C 1.51 -0.57 0 CA-C-N 116.286 -0.416 . . . . 10.0 111.316 179.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.423 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 5.6 m -136.11 15.6 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 N-CA-C 108.687 -0.857 . . . . 10.0 108.687 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -128.71 -63.32 0.12 Allowed Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.326 -0.852 . . . . 10.0 112.674 -178.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 15.4 p -175.94 85.27 0.03 OUTLIER 'General case' 0 C--O 1.234 0.28 0 N-CA-C 110.269 -0.271 . . . . 10.0 110.269 -179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 59.8 t30 -53.44 146.55 12.35 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.781 0.66 . . . . 10.0 112.781 -179.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 31.7 tttt -133.06 -103.86 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.542 -0.753 . . . . 10.0 111.095 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.484 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -165.21 107.92 0.31 Allowed Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 119.356 -1.402 . . . . 10.0 114.13 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.562 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -80.6 146.25 31.31 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.592 -0.892 . . . . 10.0 108.592 178.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.616 ' HB ' HD13 ' L' ' 31' ' ' ILE . 0.4 OUTLIER -106.07 92.0 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-O 121.182 0.515 . . . . 10.0 109.983 -179.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.856 HG22 ' HB ' ' L' ' 32' ' ' ILE . 13.1 pt -115.46 131.03 69.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.346 0.594 . . . . 10.0 112.208 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.43 115.07 2.73 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 115.551 -0.749 . . . . 10.0 111.534 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.459 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -107.38 102.67 11.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.879 0.371 . . . . 10.0 110.189 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.456 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 2.2 mpt? -124.74 91.7 3.49 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.273 0.558 . . . . 10.0 110.886 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.595 ' HB ' HG13 ' J' ' 36' ' ' VAL . 49.2 t -98.75 125.0 52.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.142 -0.688 . . . . 10.0 109.142 179.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.39 120.69 4.79 Favored Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.701 -0.762 . . . . 10.0 112.514 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.72 124.07 3.35 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.828 -0.701 . . . . 10.0 112.076 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.511 HG23 HG23 ' J' ' 39' ' ' VAL . 4.4 p -129.05 120.4 51.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.354 0.597 . . . . 10.0 111.042 179.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . 0.628 HG12 ' HB2' ' L' ' 42' ' ' ALA . 25.7 t . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.573 -0.739 . . . . 10.0 110.726 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.455 -0.193 0 CA-C-O 120.213 0.054 . . . . 10.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 12.0 p -112.26 130.23 66.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.843 0.354 . . . . 10.0 110.576 179.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . 0.489 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 9.5 t-160 -87.58 132.25 34.13 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.252 0.549 . . . . 10.0 112.283 -178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 -130.38 97.79 4.51 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.155 -0.929 . . . . 10.0 108.912 179.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -108.22 131.12 55.01 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.098 0.475 . . . . 10.0 111.166 -179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -134.31 114.02 12.56 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.763 -0.653 . . . . 10.0 110.84 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.4 mp -110.7 115.39 29.48 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.623 -0.717 . . . . 10.0 109.665 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.519 HG13 HG13 ' K' ' 18' ' ' VAL . 8.4 t -123.72 121.4 62.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.057 -0.519 . . . . 10.0 110.632 -179.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.467 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 38.0 m-85 -120.54 124.71 46.01 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.375 -0.375 . . . . 10.0 110.493 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -104.38 125.51 50.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.194 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.49 96.34 4.1 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -100.62 86.51 3.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.541 -178.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . 0.596 ' HA ' HD21 ' M' ' 27' ' ' ASN . 0.7 OUTLIER -80.22 119.49 23.05 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.882 -0.414 . . . . 10.0 109.882 179.401 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.477 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 80.4 t -120.03 -28.11 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.847 0.356 . . . . 10.0 111.685 -179.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -88.2 -78.73 1.28 Allowed Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.324 -0.941 . . . . 10.0 112.825 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 59.7 m -152.47 99.64 2.5 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.721 -0.474 . . . . 10.0 109.721 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . 0.645 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -52.88 147.65 8.79 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.266 -0.879 . . . . 10.0 112.176 -178.923 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 15.2 tttm -137.98 -79.45 0.36 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.856 178.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 157.57 117.23 0.52 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.058 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HA2' ' M' ' 29' ' ' GLY . . . -102.95 160.82 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.404 0.145 . . . . 10.0 110.678 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.616 HD13 ' HB ' ' K' ' 31' ' ' ILE . 2.8 mm -103.04 116.72 47.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 123.52 0.512 . . . . 10.0 110.044 179.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.856 ' HB ' HG22 ' K' ' 32' ' ' ILE . 86.9 mt -131.87 114.22 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.676 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . 0.638 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -109.97 119.43 5.39 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.739 -0.743 . . . . 10.0 112.488 -179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.467 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.3 mm? -109.3 97.03 6.7 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.619 ' HB2' ' HG3' ' M' ' 35' ' ' MET . 1.7 mpt? -117.5 92.45 3.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.297 0.57 . . . . 10.0 110.934 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.541 ' HB ' HG13 ' K' ' 36' ' ' VAL . 49.3 t -98.63 119.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.613 -0.722 . . . . 10.0 110.024 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -114.94 118.49 4.34 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.242 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -134.41 128.37 4.84 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.544 -0.836 . . . . 10.0 112.264 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.584 HG11 ' HA3' ' D' ' 33' ' ' GLY . 11.0 m -133.31 146.03 32.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.602 0.239 . . . . 10.0 110.454 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.451 HG13 HG13 ' K' ' 40' ' ' VAL . 7.1 p -155.67 138.7 7.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.097 0.475 . . . . 10.0 112.009 -179.635 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 15.3 mm -74.76 125.37 34.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.802 -0.635 . . . . 10.0 110.302 179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . 0.628 ' HB2' HG12 ' K' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 116.214 -0.448 . . . . 10.0 110.644 179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' N' ' 11' ' ' GLU . 8.2 mp0 . . . . . 0 CA--C 1.523 -0.078 0 CA-C-O 121.494 0.664 . . . . 10.0 110.049 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.26 144.11 13.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.14 -0.936 . . . . 10.0 111.246 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . 0.489 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 3.7 t-160 -103.78 92.88 4.61 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.15 -1.056 . . . . 10.0 108.15 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.83 114.6 26.37 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.224 0.535 . . . . 10.0 111.83 -178.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -119.4 102.17 8.48 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.297 -0.865 . . . . 10.0 109.493 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 73.7 tttt -112.71 116.98 30.99 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.064 0.459 . . . . 10.0 111.62 -178.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.401 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 51.1 mt -121.09 111.4 17.4 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.872 -0.788 . . . . 10.0 108.872 179.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 t -130.08 130.42 65.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.127 0.489 . . . . 10.0 111.87 -178.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' M' ' 34' ' ' LEU . 19.2 m-85 -124.01 129.08 50.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.775 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -107.82 109.47 21.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.354 -0.384 . . . . 10.0 111.44 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.33 105.66 13.12 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -112.54 138.43 49.32 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.296 -0.411 . . . . 10.0 111.528 -178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -129.66 147.33 51.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.641 178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.753 HG23 ' HA ' ' N' ' 24' ' ' VAL . 0.0 OUTLIER -148.47 22.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.284 -0.871 . . . . 10.0 109.837 178.388 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.16 -54.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.122 -1.037 . . . . 10.0 113.412 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 1.2 p -168.87 126.59 1.01 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.584 0.23 . . . . 10.0 110.404 -179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . 0.596 HD21 ' HA ' ' L' ' 23' ' ' ASP . 6.5 m120 -90.95 148.12 22.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.42 -0.354 . . . . 10.0 110.831 -179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 20.5 tttm -130.5 -95.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.399 -0.364 . . . . 10.0 111.067 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . 0.505 ' HA2' ' HA ' ' L' ' 30' ' ' ALA . . . 176.46 107.95 0.22 Allowed Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.346 -0.93 . . . . 10.0 112.855 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.599 ' HA ' ' CA ' ' N' ' 29' ' ' GLY . . . -85.03 166.98 16.25 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.283 -0.266 . . . . 10.0 110.283 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.725 ' HB ' HD12 ' N' ' 31' ' ' ILE . 0.3 OUTLIER -121.22 91.05 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.816 -0.438 . . . . 10.0 109.816 179.935 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . . . . . . . . . 22.0 mt -114.25 122.61 68.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.932 0.396 . . . . 10.0 111.224 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.25 120.21 4.25 Favored Glycine 0 N--CA 1.448 -0.565 0 CA-C-N 115.972 -0.558 . . . . 10.0 111.785 179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.649 ' HG ' HD23 ' N' ' 34' ' ' LEU . 5.9 mp -113.47 101.63 9.54 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.927 -0.397 . . . . 10.0 109.927 179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.619 ' HG3' ' HB2' ' L' ' 35' ' ' MET . 2.7 mpt? -122.91 103.7 8.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.363 0.601 . . . . 10.0 110.738 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.571 HG12 ' HB ' ' N' ' 36' ' ' VAL . 15.6 m -112.49 140.36 32.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.564 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.71 122.38 3.94 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.878 -0.677 . . . . 10.0 112.66 -179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.59 108.5 1.19 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.653 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.516 HG23 ' CG2' ' L' ' 39' ' ' VAL . 12.2 p -107.94 109.17 27.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.436 0.636 . . . . 10.0 110.845 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' L' ' 40' ' ' VAL . 24.5 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.672 -0.694 . . . . 10.0 111.119 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . 0.616 ' HG3' ' HG3' ' M' ' 11' ' ' GLU . 3.9 tp10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 121.171 0.51 . . . . 10.0 110.348 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.701 ' HB ' HG12 ' O' ' 12' ' ' VAL . 3.1 t -104.28 109.87 28.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 t60 -86.66 127.68 34.96 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.732 0.301 . . . . 10.0 111.448 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -127.78 91.06 3.21 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.572 -0.529 . . . . 10.0 109.572 179.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . 0.469 ' HA ' ' HB3' ' O' ' 15' ' ' GLN . 6.5 tt0 -106.46 119.4 39.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.347 -179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -133.64 121.69 22.39 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.397 0.618 . . . . 10.0 111.801 -179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.495 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 6.9 mp -116.0 114.25 24.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.036 -0.984 . . . . 10.0 108.892 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.713 ' HB ' HG12 ' O' ' 18' ' ' VAL . 16.2 t -121.71 115.69 47.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 10.0 110.644 -179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . 0.444 ' HE2' HG21 ' O' ' 32' ' ' ILE . 18.1 m-85 -114.05 128.09 56.23 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.47 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -105.67 130.75 53.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.694 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.66 88.79 2.09 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.46 -0.57 . . . . 10.0 109.46 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -109.64 107.17 17.13 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.094 -179.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . 0.872 ' HA ' ' HB3' ' O' ' 23' ' ' ASP . 42.2 m-20 -105.54 118.89 37.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.249 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.753 ' HA ' HG23 ' M' ' 24' ' ' VAL . 33.7 m -101.14 -5.01 9.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.502 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -108.0 -78.79 1.12 Allowed Glycine 0 N--CA 1.443 -0.898 0 C-N-CA 120.342 -0.933 . . . . 10.0 111.907 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.36 113.98 6.39 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 110.064 -0.347 . . . . 10.0 110.064 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.467 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 3.2 m120 -73.91 144.33 45.39 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.79 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.56 ' HB3' ' O ' ' O' ' 28' ' ' LYS . 0.2 OUTLIER -124.98 -96.83 0.44 Allowed 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 121.012 -0.275 . . . . 10.0 110.642 178.538 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.599 ' CA ' ' HA ' ' M' ' 30' ' ' ALA . . . 175.96 107.39 0.21 Allowed Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.258 -0.972 . . . . 10.0 112.965 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.548 ' HA ' ' CA ' ' O' ' 29' ' ' GLY . . . -90.09 153.22 20.71 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.57 -0.53 . . . . 10.0 109.57 179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.725 HD12 ' HB ' ' M' ' 31' ' ' ILE . 5.6 tp -101.26 102.81 14.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.572 0.701 . . . . 10.0 110.401 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.429 HG12 HD12 ' O' ' 32' ' ' ILE . 29.2 mt -117.5 124.59 73.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.738 -0.665 . . . . 10.0 111.126 -178.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . 0.452 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -125.38 117.52 2.98 Favored Glycine 0 N--CA 1.444 -0.772 0 N-CA-C 111.514 -0.634 . . . . 10.0 111.514 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.649 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -109.06 103.8 12.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.971 -0.381 . . . . 10.0 109.971 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.463 ' HG2' ' CA ' ' F' ' 37' ' ' GLY . 2.1 mpp? -117.59 102.88 9.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.097 0.475 . . . . 10.0 111.24 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.571 ' HB ' HG12 ' M' ' 36' ' ' VAL . 54.3 t -112.57 125.47 69.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.942 -0.572 . . . . 10.0 109.978 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.479 ' CA ' ' HG2' ' F' ' 35' ' ' MET . . . -124.95 130.82 7.54 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.767 -0.73 . . . . 10.0 113.111 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.18 131.84 7.36 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 121.05 -0.595 . . . . 10.0 111.899 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.786 ' HB ' HG12 ' O' ' 39' ' ' VAL . 85.1 t -125.29 123.79 65.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.424 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 7.6 p -150.19 138.44 14.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.834 0.35 . . . . 10.0 111.513 -179.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.417 ' H ' HG13 ' N' ' 41' ' ' ILE . 3.2 mt -72.55 126.79 33.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.536 -0.302 . . . . 10.0 110.775 179.851 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.173 0.511 . . . . 10.0 110.788 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . 0.701 HG12 ' HB ' ' N' ' 12' ' ' VAL . 7.5 m -117.18 132.7 66.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.475 0.655 . . . . 10.0 112.643 -179.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -97.4 95.67 7.83 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.822 -1.177 . . . . 10.0 107.822 178.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . 0.479 ' HB2' ' ND1' ' P' ' 14' ' ' HIS . 23.7 m170 -84.65 99.51 10.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.177 0.513 . . . . 10.0 112.209 -178.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . 0.469 ' HB3' ' HA ' ' N' ' 15' ' ' GLN . 4.1 tp60 -104.91 95.26 5.74 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 108.371 -0.974 . . . . 10.0 108.371 178.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -113.16 114.37 26.68 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.919 0.39 . . . . 10.0 111.746 -178.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.634 HD13 HD23 ' O' ' 34' ' ' LEU . 20.2 mt -121.98 116.4 24.25 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.045 -0.724 . . . . 10.0 109.045 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.713 HG12 ' HB ' ' N' ' 18' ' ' VAL . 5.9 m -132.75 137.49 53.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 113.053 0.76 . . . . 10.0 113.053 -178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -127.19 129.13 47.25 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.249 -0.887 . . . . 10.0 109.097 178.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -111.18 101.99 10.45 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 111.854 0.316 . . . . 10.0 111.854 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -108.38 119.44 39.5 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -124.26 130.33 52.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.289 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . 0.872 ' HB3' ' HA ' ' N' ' 23' ' ' ASP . 3.9 t70 -108.15 148.44 29.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.444 -0.344 . . . . 10.0 110.334 178.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.432 ' HB ' ' HA ' ' P' ' 24' ' ' VAL . 14.5 t -130.43 -29.27 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.15 -0.477 . . . . 10.0 110.348 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . 0.448 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -117.36 -64.92 0.33 Allowed Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.215 -0.993 . . . . 10.0 113.172 -179.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 15.9 m -156.42 112.79 3.06 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.056 -0.35 . . . . 10.0 110.056 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.88 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 18.9 t-20 -77.0 154.31 33.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.951 0.405 . . . . 10.0 110.361 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.56 ' O ' ' HB3' ' N' ' 28' ' ' LYS . 57.2 tttp -123.63 -89.41 0.59 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.051 179.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.548 ' CA ' ' HA ' ' N' ' 30' ' ' ALA . . . 172.89 110.46 0.24 Allowed Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.148 -1.025 . . . . 10.0 112.748 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.88 159.14 17.84 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.621 0.248 . . . . 10.0 110.562 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.902 HD12 ' HB ' ' P' ' 31' ' ' ILE . 16.0 mt -97.79 99.5 8.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.444 HG21 ' HE2' ' N' ' 19' ' ' PHE . 69.3 mt -110.52 108.1 24.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 120.841 0.353 . . . . 10.0 110.404 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . 0.534 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.03 114.35 2.58 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.636 -0.792 . . . . 10.0 112.214 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.634 HD23 HD13 ' O' ' 17' ' ' LEU . 8.9 mp -112.14 111.17 21.88 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.129 -0.323 . . . . 10.0 110.129 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.755 ' HG3' ' HA3' ' G' ' 37' ' ' GLY . 10.8 mmt -117.74 103.66 10.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.856 -0.611 . . . . 10.0 109.849 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 34.4 t -114.21 115.23 49.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.234 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . 0.767 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -126.86 124.66 5.11 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.319 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.54 134.7 7.14 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.683 -0.77 . . . . 10.0 112.305 -179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.786 HG12 ' HB ' ' N' ' 39' ' ' VAL . 32.1 m -121.93 139.75 48.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.941 0.401 . . . . 10.0 111.052 179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.424 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 2.0 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 115.905 -0.589 . . . . 10.0 110.931 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 . . . . . 0 C--O 1.232 0.158 0 N-CA-C 110.117 -0.327 . . . . 10.0 110.117 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . 0.593 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -77.22 141.2 15.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.545 179.217 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 t60 -60.78 120.02 9.31 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 113.198 0.814 . . . . 10.0 113.198 -178.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . 0.479 ' ND1' ' HB2' ' O' ' 14' ' ' HIS . 88.9 m-70 -117.91 111.08 18.53 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.328 -0.989 . . . . 10.0 108.328 178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -114.93 127.42 55.68 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 10.0 111.183 -178.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 39.9 tttm -134.57 115.71 14.19 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.25 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 mp -122.84 119.96 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.168 -0.469 . . . . 10.0 109.973 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . 0.439 HG13 HG23 ' O' ' 18' ' ' VAL . 12.1 t -126.36 123.33 63.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 10.0 110.613 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -125.32 130.45 52.01 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.882 0.372 . . . . 10.0 110.844 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -108.46 136.68 47.66 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.998 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -147.7 94.02 2.29 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.89 152.01 27.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.073 0.463 . . . . 10.0 111.428 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -123.31 155.88 36.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.602 -0.727 . . . . 10.0 109.838 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.432 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.0 OUTLIER -137.81 12.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.338 -0.392 . . . . 10.0 110.674 179.468 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -167.0 -67.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.351 -0.928 . . . . 10.0 112.934 -179.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -133.2 97.93 4.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.775 0.322 . . . . 10.0 110.299 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.88 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 9.0 t-20 -68.87 141.82 54.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 10.0 109.716 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -126.76 -75.29 0.58 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 121.169 0.509 . . . . 10.0 109.872 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 117.76 128.41 3.98 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 115.505 -0.771 . . . . 10.0 111.923 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.91 172.24 6.91 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.902 ' HB ' HD12 ' O' ' 31' ' ' ILE . 0.0 OUTLIER -91.53 112.36 25.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.137 0.494 . . . . 10.0 110.612 179.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 14.9 mt -120.54 109.68 26.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.42 118.96 4.28 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 120.855 -0.688 . . . . 10.0 111.86 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -109.44 108.32 18.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.877 0.37 . . . . 10.0 110.238 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.659 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 3.7 mpp? -108.07 105.54 15.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.124 -0.489 . . . . 10.0 110.806 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 40.5 t -106.11 129.61 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.772 -0.649 . . . . 10.0 109.828 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . 0.705 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -136.19 134.97 7.48 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.694 -0.765 . . . . 10.0 112.472 -179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.81 136.99 8.15 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.919 -0.658 . . . . 10.0 111.989 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.528 ' HB ' HD11 ' H' ' 31' ' ' ILE . 2.8 m -130.32 138.81 52.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 120.519 0.2 . . . . 10.0 110.843 -179.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 p -164.88 160.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 110.508 -0.182 . . . . 10.0 110.508 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 41.2 pt -89.06 -175.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 120.633 0.254 . . . . 10.0 110.743 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.647 -0.692 . . . . 10.0 110.207 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -107.24 158.85 7.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.935 0.397 . . . . 10.0 111.699 -178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -77.82 115.54 17.64 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 108.609 -0.886 . . . . 10.0 108.609 178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 24.7 m170 -99.04 94.28 6.45 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.254 0.55 . . . . 10.0 110.729 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' OE1' ' HB3' ' B' ' 15' ' ' GLN . 58.4 tp60 -105.38 123.86 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.42 -0.809 . . . . 10.0 109.714 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -140.04 131.55 27.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.053 0.454 . . . . 10.0 111.961 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.532 HD23 ' HB2' ' B' ' 17' ' ' LEU . 2.1 mt -126.3 104.07 8.0 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.709 -0.849 . . . . 10.0 108.709 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.425 HG23 HG13 ' B' ' 18' ' ' VAL . 2.3 m -115.52 121.35 67.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.455 0.645 . . . . 10.0 112.548 -178.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -115.77 114.63 25.05 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.189 -0.914 . . . . 10.0 109.316 179.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -109.41 114.25 27.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.219 -0.446 . . . . 10.0 110.798 -179.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.5 136.48 51.96 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.901 -0.59 . . . . 10.0 110.509 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.59 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 22.8 mm-40 -83.41 173.94 11.09 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.571 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.67 ' HA ' HD21 ' B' ' 27' ' ' ASN . 36.2 t70 -156.79 77.45 0.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.424 -0.353 . . . . 10.0 111.074 -179.19 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.723 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 23.8 t -109.92 -42.16 5.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 120.966 0.412 . . . . 10.0 110.465 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.422 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -90.61 -154.02 29.7 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.645 -0.788 . . . . 10.0 111.841 179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.73 116.77 7.29 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.121 -0.326 . . . . 10.0 110.121 179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -60.42 148.13 38.46 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.607 0.595 . . . . 10.0 112.607 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 9.9 tptm -153.17 -146.02 0.18 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.445 -0.798 . . . . 10.0 109.006 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -154.42 127.18 2.05 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 119.927 -1.13 . . . . 10.0 113.346 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.749 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -81.64 150.42 28.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.793 0.33 . . . . 10.0 110.727 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.448 ' HB ' HG12 ' B' ' 31' ' ' ILE . 21.2 mm -100.81 92.37 2.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.267 0.556 . . . . 10.0 110.025 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.639 HG22 ' HB ' ' B' ' 32' ' ' ILE . 15.7 pt -110.21 130.12 64.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.957 -0.565 . . . . 10.0 111.478 -179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.55 95.92 0.7 Allowed Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 111.298 -0.721 . . . . 10.0 111.298 179.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.471 ' HA ' ' HB2' ' B' ' 34' ' ' LEU . 6.3 mp -91.79 101.75 14.35 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.771 0.319 . . . . 10.0 110.96 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 mpt? -126.39 75.89 1.57 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.189 0.519 . . . . 10.0 110.474 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.3 t -83.67 114.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.197 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.56 118.66 5.87 Favored Glycine 0 N--CA 1.442 -0.955 0 C-N-CA 120.873 -0.679 . . . . 10.0 112.48 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.06 119.44 1.72 Allowed Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 110.542 -1.023 . . . . 10.0 110.542 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -139.58 130.79 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.551 0 CA-C-O 121.562 0.696 . . . . 10.0 111.936 -179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.5 HG22 ' HB ' ' B' ' 40' ' ' VAL . 45.5 t . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.168 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.96 0.409 . . . . 10.0 110.861 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.782 ' HB ' HG12 ' C' ' 12' ' ' VAL . 3.9 t -106.41 119.51 55.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 116.294 -0.412 . . . . 10.0 109.894 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -86.5 122.58 30.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.967 0.413 . . . . 10.0 110.942 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.455 ' HD2' ' HB ' ' C' ' 12' ' ' VAL . 70.7 m-70 -124.2 84.63 2.3 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.698 -0.683 . . . . 10.0 109.619 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.431 ' HG3' ' HB3' ' C' ' 15' ' ' GLN . 9.1 tt0 -107.51 125.73 51.64 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.15 0.5 . . . . 10.0 111.437 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -135.1 123.04 22.58 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.354 0.597 . . . . 10.0 111.407 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.555 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 7.3 mp -110.67 116.18 30.88 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.153 -0.931 . . . . 10.0 109.154 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.438 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.3 t -117.39 122.23 69.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.982 -0.553 . . . . 10.0 110.351 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -122.69 118.22 27.58 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.322 -0.399 . . . . 10.0 111.34 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -106.89 115.95 31.07 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.889 -0.596 . . . . 10.0 109.823 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.17 114.92 20.29 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 62.7 mt-10 -89.9 158.88 17.23 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.782 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.48 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 5.9 m-20 -147.99 56.83 1.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.432 -0.581 . . . . 10.0 109.432 -179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.723 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 27.6 t -78.6 -20.37 13.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.117 0.485 . . . . 10.0 111.266 -179.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -94.54 -64.26 1.01 Allowed Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.264 -0.97 . . . . 10.0 111.484 179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.422 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 68.9 p -167.29 119.3 0.91 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.689 -0.486 . . . . 10.0 109.689 -179.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.67 HD21 ' HA ' ' A' ' 23' ' ' ASP . 0.7 OUTLIER -61.36 152.1 30.42 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 123.315 0.384 . . . . 10.0 110.175 179.881 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.712 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -144.76 -95.7 0.1 Allowed 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 121.067 -0.253 . . . . 10.0 111.673 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.749 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 171.43 95.55 0.1 OUTLIER Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 119.716 -1.23 . . . . 10.0 113.007 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.63 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -83.4 147.35 27.93 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.983 -0.377 . . . . 10.0 109.983 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.759 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -96.72 116.79 39.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-O 121.879 0.847 . . . . 10.0 109.817 179.466 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.639 ' HB ' HG22 ' A' ' 32' ' ' ILE . 37.8 mt -129.26 119.33 48.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.209 -178.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.19 120.6 6.22 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 111.092 -0.803 . . . . 10.0 111.092 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' A' ' 34' ' ' LEU . 1.9 mm? -115.02 86.79 2.52 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.838 -0.43 . . . . 10.0 109.838 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.514 ' HG2' ' HA2' ' J' ' 37' ' ' GLY . 2.1 mpt? -116.2 88.69 2.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.395 0.617 . . . . 10.0 111.484 -179.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 29.3 t -91.6 135.29 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.461 -0.79 . . . . 10.0 109.292 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.539 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.45 103.19 0.96 Allowed Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.85 -0.691 . . . . 10.0 112.782 -179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.17 102.85 1.5 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.097 -0.801 . . . . 10.0 111.097 179.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.506 ' HB ' HG23 ' C' ' 39' ' ' VAL . 3.9 t -111.89 116.75 53.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 120.567 0.222 . . . . 10.0 110.494 -179.177 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.5 ' HB ' HG22 ' A' ' 40' ' ' VAL . 46.0 t -125.92 132.04 71.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.586 0.232 . . . . 10.0 110.514 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . . . . . . . . . 9.0 tp -66.54 136.68 26.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.86 0.362 . . . . 10.0 110.493 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.391 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.032 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.671 0.748 . . . . 10.0 110.26 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.782 HG12 ' HB ' ' B' ' 12' ' ' VAL . 7.3 m -91.11 115.62 30.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.027 -0.988 . . . . 10.0 110.907 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -75.15 98.41 3.7 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.515 -0.766 . . . . 10.0 109.482 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.434 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 2.2 m170 -89.26 104.57 17.11 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.283 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.431 ' HB3' ' HG3' ' B' ' 15' ' ' GLN . 5.6 tt0 -114.35 103.18 10.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.779 -0.646 . . . . 10.0 109.305 179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -114.22 119.71 37.98 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 120.924 0.392 . . . . 10.0 111.87 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.555 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 48.9 mt -120.5 112.71 19.29 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.359 -0.978 . . . . 10.0 108.359 178.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.689 HG13 HG13 ' D' ' 18' ' ' VAL . 7.1 p -132.24 130.97 60.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.505 0.669 . . . . 10.0 112.61 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.588 ' HE2' HD11 ' D' ' 32' ' ' ILE . 11.1 m-85 -119.98 127.91 53.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.257 -0.883 . . . . 10.0 110.145 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -108.31 113.01 25.76 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.025 -0.534 . . . . 10.0 109.696 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.66 113.7 20.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 120.854 0.359 . . . . 10.0 110.032 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 51.5 mt-10 -103.33 151.91 22.18 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.323 -0.399 . . . . 10.0 111.218 -179.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.435 ' HB2' HD21 ' D' ' 27' ' ' ASN . 4.4 t0 -141.03 114.93 9.08 Favored 'General case' 0 CA--C 1.508 -0.67 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.362 178.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -126.0 7.55 4.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 178.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.429 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -129.4 -62.54 0.11 Allowed Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.896 -178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 8.2 p -172.75 92.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.721 0.261 . . . . 10.0 110.898 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -55.68 143.94 28.72 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.494 0.496 . . . . 10.0 111.648 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.712 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 32.8 ttmt -128.59 -105.12 0.31 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.014 -0.539 . . . . 10.0 111.071 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.63 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -166.45 109.94 0.38 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.245 -0.979 . . . . 10.0 113.129 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.577 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -83.85 164.77 19.27 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.105 -0.332 . . . . 10.0 110.105 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.795 ' HB ' HG12 ' D' ' 31' ' ' ILE . 1.7 mt -120.65 88.22 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 109.234 -0.654 . . . . 10.0 109.234 179.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.568 HG22 HG12 ' D' ' 32' ' ' ILE . 23.9 pt -115.58 127.24 73.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 121.08 0.466 . . . . 10.0 111.853 -179.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.52 115.68 3.0 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.723 -0.751 . . . . 10.0 111.947 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.506 HD23 HD13 ' C' ' 17' ' ' LEU . 6.7 mp -105.96 103.67 13.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.987 0.422 . . . . 10.0 110.482 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.424 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.4 mpp? -123.86 89.89 3.17 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.023 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.565 HG13 ' HB ' ' D' ' 36' ' ' VAL . 40.1 t -98.17 113.16 32.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.01 119.96 5.2 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.669 -0.776 . . . . 10.0 112.891 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.1 120.79 3.01 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 111.572 -0.611 . . . . 10.0 111.572 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.506 HG23 ' HB ' ' B' ' 39' ' ' VAL . 13.4 p -117.75 119.75 62.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.494 0.664 . . . . 10.0 111.221 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 115.392 -0.822 . . . . 10.0 110.678 -179.312 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.384 0.135 . . . . 10.0 111.228 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 6.4 p -142.51 134.36 25.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.723 0.297 . . . . 10.0 111.033 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . 0.549 ' HA ' ' HB3' ' E' ' 13' ' ' HIS . 1.0 OUTLIER -84.38 130.86 34.75 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.383 0.512 . . . . 10.0 112.383 -178.483 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 71.7 m-70 -132.72 89.99 2.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.316 -0.857 . . . . 10.0 109.075 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 25.4 pt20 -113.05 137.1 51.93 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.596 0.712 . . . . 10.0 112.451 -179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -138.12 119.61 14.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.969 -1.014 . . . . 10.0 110.741 -179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 7.1 mp -112.64 118.15 34.25 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.236 -0.653 . . . . 10.0 109.236 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.821 ' HB ' HG12 ' E' ' 18' ' ' VAL . 7.6 t -123.84 125.41 71.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.026 -178.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -118.77 124.45 47.28 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.092 -0.504 . . . . 10.0 110.329 179.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -104.72 122.97 46.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.133 -0.485 . . . . 10.0 111.086 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.32 105.05 8.07 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.76 -0.83 . . . . 10.0 108.76 178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -108.16 79.95 1.31 Allowed 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.085 -0.507 . . . . 10.0 111.423 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.6 OUTLIER -75.53 114.81 14.52 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.51 -0.552 . . . . 10.0 109.51 179.283 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 60.8 t -115.63 -19.97 6.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.137 0.494 . . . . 10.0 111.209 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.429 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -95.53 -83.03 1.63 Allowed Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.437 -0.887 . . . . 10.0 112.615 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.435 ' C ' HD22 ' E' ' 27' ' ' ASN . 41.9 m -144.16 100.14 3.5 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 109.523 -0.547 . . . . 10.0 109.523 -179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.435 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.8 OUTLIER -52.21 148.94 5.81 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.542 -0.754 . . . . 10.0 112.291 -178.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.863 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 58.8 tttm -138.82 -81.46 0.31 Allowed 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.649 177.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.577 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 149.97 113.99 0.67 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.921 -1.133 . . . . 10.0 113.724 178.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.715 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -82.47 158.49 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.425 -0.583 . . . . 10.0 109.425 179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.795 HG12 ' HB ' ' C' ' 31' ' ' ILE . 0.1 OUTLIER -116.57 103.34 14.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 122.128 0.966 . . . . 10.0 110.119 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.588 HD11 ' HE2' ' C' ' 19' ' ' PHE . 45.7 pt -129.92 147.13 33.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.58 -0.736 . . . . 10.0 111.687 -178.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.445 ' HA3' HG22 ' L' ' 39' ' ' VAL . . . -125.43 125.63 5.67 Favored Glycine 0 N--CA 1.44 -1.034 0 CA-C-N 115.335 -0.848 . . . . 10.0 111.832 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.438 ' HB2' ' HA ' ' C' ' 34' ' ' LEU . 2.5 mm? -105.88 95.6 5.91 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.082 -0.71 . . . . 10.0 109.082 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.599 ' HG2' ' HA2' ' L' ' 37' ' ' GLY . 2.7 mpt? -116.39 104.45 11.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.172 0.51 . . . . 10.0 111.489 -179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.565 ' HB ' HG13 ' C' ' 36' ' ' VAL . 26.9 t -106.51 128.75 60.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.665 -0.698 . . . . 10.0 109.276 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.544 ' HA2' ' HG2' ' L' ' 35' ' ' MET . . . -119.1 115.68 3.13 Favored Glycine 0 N--CA 1.444 -0.807 0 C-N-CA 120.616 -0.802 . . . . 10.0 112.713 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -122.25 125.77 6.18 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.11 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.456 ' HB ' HG23 ' E' ' 39' ' ' VAL . 58.8 t -128.8 125.35 63.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 109.33 -0.619 . . . . 10.0 109.33 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 p -146.56 136.21 17.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.949 0.405 . . . . 10.0 111.928 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.414 ' HB ' HG21 ' L' ' 31' ' ' ILE . 0.0 OUTLIER -83.89 135.42 24.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.413 179.424 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.463 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.246 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.66 ' HG3' ' HG2' ' F' ' 11' ' ' GLU . 1.7 mp0 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 121.53 0.681 . . . . 10.0 110.542 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -74.73 141.6 15.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.283 -0.871 . . . . 10.0 111.121 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.549 ' HB3' ' HA ' ' D' ' 13' ' ' HIS . 3.4 t60 -95.9 88.81 5.03 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.289 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 -81.75 115.27 20.9 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.254 0.55 . . . . 10.0 110.747 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 45.3 tt0 -132.0 106.34 7.97 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.967 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -126.91 126.89 44.03 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.085 0.469 . . . . 10.0 111.915 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.691 HD22 HD23 ' E' ' 34' ' ' LEU . 4.2 mp -125.45 118.76 26.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.822 -0.807 . . . . 10.0 108.822 178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.821 HG12 ' HB ' ' D' ' 18' ' ' VAL . 1.7 m -128.83 128.67 67.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.137 0.494 . . . . 10.0 112.075 -178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.47 124.57 45.75 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.478 -0.783 . . . . 10.0 109.316 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -106.28 114.12 28.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.26 -0.427 . . . . 10.0 111.001 -178.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.13 106.48 12.43 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.847 -0.427 . . . . 10.0 109.847 178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -110.88 132.74 53.95 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.318 -0.401 . . . . 10.0 111.283 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.68 145.13 48.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.756 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 2.5 t -138.32 5.4 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.064 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' F' ' 25' ' ' GLY . . . -137.86 -64.05 0.05 OUTLIER Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.014 -1.088 . . . . 10.0 113.777 -177.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -157.76 130.53 7.41 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.864 -0.421 . . . . 10.0 109.864 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.435 HD22 ' C ' ' D' ' 26' ' ' SER . 5.3 m-80 -91.76 149.4 21.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.964 0.412 . . . . 10.0 111.45 -178.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.863 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 58.0 mttt -130.2 -105.78 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.286 177.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.715 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -170.93 109.35 0.31 Allowed Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.037 -1.078 . . . . 10.0 113.05 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.508 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -81.55 150.09 28.35 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.098 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.596 ' O ' ' HA ' ' F' ' 31' ' ' ILE . 1.1 mt -110.87 94.55 3.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.8 -0.444 . . . . 10.0 109.8 -179.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.615 HG23 ' HB ' ' F' ' 32' ' ' ILE . 21.3 mt -120.2 127.15 75.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.957 0.408 . . . . 10.0 111.107 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.39 113.85 2.81 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.798 -0.715 . . . . 10.0 112.047 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.691 HD23 HD22 ' E' ' 17' ' ' LEU . 7.0 mp -102.61 102.79 13.04 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.363 -0.606 . . . . 10.0 109.363 179.648 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.778 ' HG3' ' HG3' ' F' ' 35' ' ' MET . 0.0 OUTLIER -126.12 91.02 3.29 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.496 0.665 . . . . 10.0 111.152 -179.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.543 HG12 ' HB ' ' F' ' 36' ' ' VAL . 4.0 m -106.01 130.48 57.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.084 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.551 ' HA3' ' SD ' ' M' ' 35' ' ' MET . . . -131.1 136.87 9.07 Favored Glycine 0 N--CA 1.444 -0.824 0 C-N-CA 120.307 -0.949 . . . . 10.0 113.035 -179.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.06 126.6 3.58 Favored Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.99 -0.624 . . . . 10.0 111.647 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.456 HG23 ' HB ' ' D' ' 39' ' ' VAL . 11.7 p -120.13 117.28 53.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.413 0.625 . . . . 10.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.505 HG12 ' HB2' ' F' ' 42' ' ' ALA . 22.1 t . . . . . 0 C--O 1.236 0.393 0 CA-C-N 115.58 -0.737 . . . . 10.0 110.564 -179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.66 ' HG2' ' HG3' ' E' ' 11' ' ' GLU . 3.7 tt0 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 121.013 0.435 . . . . 10.0 110.155 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.907 ' HB ' HG12 ' G' ' 12' ' ' VAL . 14.2 t -92.29 103.49 14.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 108.435 -0.95 . . . . 10.0 108.435 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -77.04 127.23 32.3 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.82 0.343 . . . . 10.0 111.443 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -125.86 89.5 3.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.994 -0.548 . . . . 10.0 109.758 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -107.41 116.14 31.4 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.99 0.424 . . . . 10.0 110.409 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptmt -132.24 121.17 23.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.267 0.556 . . . . 10.0 111.997 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -115.41 116.18 27.8 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.208 -0.905 . . . . 10.0 109.22 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.857 ' HB ' HG12 ' G' ' 18' ' ' VAL . 4.9 t -121.15 120.87 63.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.818 -179.101 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 35.7 m-85 -120.85 123.25 42.1 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.579 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -104.37 131.13 52.06 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.117 -0.492 . . . . 10.0 110.547 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -142.29 90.15 2.22 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.111 0.481 . . . . 10.0 109.838 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -109.63 105.99 15.49 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.909 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.417 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 16.8 m-20 -106.79 117.3 33.68 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.023 -0.535 . . . . 10.0 110.709 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.467 HG22 ' HA ' ' G' ' 24' ' ' VAL . 27.8 m -100.88 15.77 4.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.24 0.543 . . . . 10.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . 0.439 ' O ' ' HA3' ' E' ' 25' ' ' GLY . . . -122.57 -87.43 0.86 Allowed Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 111.318 -0.713 . . . . 10.0 111.318 179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -144.16 100.05 3.49 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.823 -0.436 . . . . 10.0 109.823 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.513 ' HA ' ' HB3' ' G' ' 27' ' ' ASN . 1.2 m120 -62.66 128.47 36.13 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.789 -179.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.59 ' HG2' ' HD2' ' E' ' 28' ' ' LYS . 0.3 OUTLIER -109.7 -61.71 1.6 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.232 -0.655 . . . . 10.0 109.232 178.467 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.508 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 133.04 120.73 2.15 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.356 -0.926 . . . . 10.0 113.043 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.44 ' HB2' ' HA2' ' G' ' 29' ' ' GLY . . . -95.39 165.15 12.51 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.418 -0.586 . . . . 10.0 109.418 179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.604 HG12 HG13 ' N' ' 39' ' ' VAL . 8.7 tt -112.84 112.27 39.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 121.648 0.737 . . . . 10.0 111.249 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.615 ' HB ' HG23 ' E' ' 32' ' ' ILE . 19.4 mt -119.86 126.82 75.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.241 -0.891 . . . . 10.0 110.307 -178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.59 111.99 2.67 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.813 -0.631 . . . . 10.0 111.782 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -101.37 98.19 8.58 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.811 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 2.1 mpt? -117.41 93.41 4.16 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.907 0.384 . . . . 10.0 110.836 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.543 ' HB ' HG12 ' E' ' 36' ' ' VAL . 44.3 t -110.65 130.11 64.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.893 -0.41 . . . . 10.0 109.893 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.743 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -132.44 135.07 7.91 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.61 -0.805 . . . . 10.0 113.057 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.45 132.4 6.76 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 121.013 -0.613 . . . . 10.0 112.06 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.591 ' HB ' HG12 ' G' ' 39' ' ' VAL . 40.2 t -123.48 131.03 73.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.301 -0.629 . . . . 10.0 109.301 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.488 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.3 p -153.06 132.19 3.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.123 0.487 . . . . 10.0 111.869 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.421 HG23 HG12 ' O' ' 31' ' ' ILE . 7.5 pt -72.57 139.42 19.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.174 -0.466 . . . . 10.0 110.715 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.505 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.321 -0.658 0 CA-C-N 116.341 -0.39 . . . . 10.0 110.55 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . 0.406 ' C ' HG11 ' H' ' 12' ' ' VAL . 14.7 mm-40 . . . . . 0 C--O 1.234 0.243 0 CA-C-O 121.027 0.441 . . . . 10.0 110.264 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.907 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.6 m -116.93 134.7 59.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.458 0.647 . . . . 10.0 112.532 -179.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -96.27 93.21 6.76 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.121 -1.066 . . . . 10.0 108.121 178.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -84.77 104.74 15.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.131 0.491 . . . . 10.0 111.508 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -113.22 94.19 4.76 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.894 -0.78 . . . . 10.0 108.894 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -111.33 117.87 34.3 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.187 -0.46 . . . . 10.0 111.623 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 24.8 mt -120.88 116.4 25.09 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.927 -0.768 . . . . 10.0 108.927 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.9 m -129.31 131.83 67.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.868 0.692 . . . . 10.0 112.868 -178.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -126.05 123.6 38.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.286 -0.87 . . . . 10.0 109.402 179.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -105.32 114.92 29.39 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.442 -0.344 . . . . 10.0 111.02 -179.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -118.15 126.59 52.53 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.024 179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -130.11 140.47 50.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.425 -0.352 . . . . 10.0 111.125 -179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.456 ' O ' HG22 ' F' ' 24' ' ' VAL . 6.4 t70 -130.42 132.26 45.64 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.577 -0.527 . . . . 10.0 109.577 177.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.467 ' HA ' HG22 ' F' ' 24' ' ' VAL . 26.7 t -120.2 1.4 7.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.352 0.596 . . . . 10.0 109.98 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -133.44 -69.39 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.044 -1.074 . . . . 10.0 113.327 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -153.78 103.18 2.58 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 122.468 -0.431 . . . . 10.0 110.939 -179.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.756 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 19.7 t-20 -58.53 142.28 49.48 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.57 179.163 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -123.31 -59.68 1.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.095 178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' HB2' ' F' ' 30' ' ' ALA . . . 123.64 123.54 2.82 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 119.99 -1.1 . . . . 10.0 112.775 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.449 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . . . -102.01 172.17 7.07 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.622 0.249 . . . . 10.0 110.854 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.455 HG12 HG23 ' N' ' 41' ' ' ILE . 16.3 mt -103.72 101.12 11.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 108.573 -0.899 . . . . 10.0 108.573 179.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 30.2 mt -113.11 112.63 41.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 120.762 0.315 . . . . 10.0 110.442 -179.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.483 ' HA3' HG11 ' O' ' 39' ' ' VAL . . . -117.02 123.5 5.82 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.501 -0.857 . . . . 10.0 112.461 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 5.4 mp -121.94 104.65 9.68 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.977 -0.379 . . . . 10.0 109.977 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.694 ' HG3' ' HA3' ' O' ' 37' ' ' GLY . 0.0 OUTLIER -121.62 106.45 11.36 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.47 0.653 . . . . 10.0 111.047 -179.815 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' H' ' 36' ' ' VAL . 45.8 t -114.38 124.44 71.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.347 -0.842 . . . . 10.0 110.09 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.917 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -132.69 123.62 3.57 Favored Glycine 0 N--CA 1.446 -0.673 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.27 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.26 135.2 7.32 Favored Glycine 0 N--CA 1.445 -0.76 0 C-N-CA 120.55 -0.833 . . . . 10.0 112.468 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.591 HG12 ' HB ' ' F' ' 39' ' ' VAL . 14.9 m -119.11 138.27 50.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.852 0.358 . . . . 10.0 110.56 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.661 ' HA ' ' O ' ' H' ' 40' ' ' VAL . 7.1 p . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.942 -0.572 . . . . 10.0 111.064 -179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 . . . . . 0 C--O 1.233 0.208 0 N-CA-C 109.826 -0.435 . . . . 10.0 109.826 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -69.15 138.33 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.757 0.313 . . . . 10.0 110.925 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -61.42 125.21 22.95 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.311 0.856 . . . . 10.0 113.311 -177.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -118.77 108.0 14.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.991 -1.004 . . . . 10.0 108.873 178.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -111.61 130.62 55.7 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.383 -178.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 31.0 tttm -137.99 111.26 7.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.422 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.426 HD23 ' HG ' ' H' ' 34' ' ' LEU . 7.3 mp -117.7 116.31 26.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.0 -0.545 . . . . 10.0 110.08 179.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 19.9 t -122.86 128.24 75.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.369 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -130.93 137.44 49.3 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.47 -0.332 . . . . 10.0 110.529 179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -116.06 112.19 21.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.933 0.397 . . . . 10.0 111.935 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -118.07 82.47 1.84 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -102.93 154.73 18.92 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.849 -0.614 . . . . 10.0 112.013 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -140.81 149.29 41.85 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.45 -0.795 . . . . 10.0 109.901 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -130.91 10.06 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.776 0.322 . . . . 10.0 110.59 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -142.96 -56.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.197 -1.001 . . . . 10.0 113.417 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 16.2 m -156.81 102.75 2.03 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.749 0.275 . . . . 10.0 110.62 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.756 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 27.4 t-20 -53.86 135.72 41.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.465 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.755 ' HG2' ' H ' ' H' ' 29' ' ' GLY . 32.5 tttp -116.42 -158.88 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.756 0.312 . . . . 10.0 110.708 -179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.755 ' H ' ' HG2' ' H' ' 28' ' ' LYS . . . -135.13 98.61 0.3 Allowed Glycine 0 N--CA 1.442 -0.938 0 C-N-CA 121.14 -0.552 . . . . 10.0 111.897 179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.41 156.51 16.45 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.497 -0.557 . . . . 10.0 109.497 179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.94 116.17 46.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.399 0.619 . . . . 10.0 111.108 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 38.3 mt -127.47 121.75 57.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.659 -0.7 . . . . 10.0 109.876 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -128.16 123.94 4.58 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.532 -0.842 . . . . 10.0 112.404 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.426 ' HG ' HD23 ' H' ' 17' ' ' LEU . 2.7 mm? -113.19 102.44 10.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.937 0.398 . . . . 10.0 110.558 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.625 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 1.7 mpt? -105.54 104.46 14.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.113 -0.494 . . . . 10.0 110.144 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' G' ' 36' ' ' VAL . 48.8 t -109.18 127.25 66.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.159 -0.473 . . . . 10.0 109.95 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.516 ' HA3' ' SD ' ' P' ' 35' ' ' MET . . . -137.0 151.35 20.96 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.493 -0.861 . . . . 10.0 112.953 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -161.38 132.79 2.96 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.891 -0.484 . . . . 10.0 111.891 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.533 HG11 ' HA3' ' P' ' 33' ' ' GLY . 34.8 m -125.05 129.21 73.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.724 0.297 . . . . 10.0 110.881 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.661 ' O ' ' HA ' ' G' ' 40' ' ' VAL . 13.7 p -159.13 154.4 4.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 120.581 0.229 . . . . 10.0 110.698 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 31.2 pt -81.32 169.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.88 0.371 . . . . 10.0 110.918 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.659 -0.686 . . . . 10.0 109.952 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 . . . . . 0 N--CA 1.482 1.159 0 CA-C-O 120.689 0.281 . . . . 10.0 110.641 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.5 t -102.37 155.87 4.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.194 0.521 . . . . 10.0 111.628 -178.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -80.81 106.62 12.96 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 108.137 -1.06 . . . . 10.0 108.137 178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.449 ' HB2' ' ND1' ' J' ' 14' ' ' HIS . 52.1 m170 -90.11 79.17 6.52 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.087 0.47 . . . . 10.0 112.027 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.471 ' OE1' ' HB3' ' J' ' 15' ' ' GLN . 61.9 tp60 -87.7 122.92 31.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.414 179.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.7 ttpt -136.9 130.38 31.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.977 0.418 . . . . 10.0 112.014 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.62 HD23 ' HB2' ' J' ' 17' ' ' LEU . 8.0 mt -125.44 106.75 10.03 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.039 -0.726 . . . . 10.0 109.039 179.113 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.42 HG23 HG13 ' J' ' 18' ' ' VAL . 0.8 OUTLIER -117.98 120.35 64.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 112.45 0.537 . . . . 10.0 112.45 -178.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -114.91 117.95 32.1 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.612 -0.722 . . . . 10.0 109.596 179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -112.78 113.46 25.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.949 0.404 . . . . 10.0 111.002 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.01 134.9 54.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.891 -0.595 . . . . 10.0 109.688 179.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.586 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 2.4 mt-10 -85.84 176.36 8.14 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.91 0.386 . . . . 10.0 110.594 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . 0.621 ' HA ' HD21 ' J' ' 27' ' ' ASN . 32.0 t70 -156.02 78.14 0.96 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.61 -179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.786 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.0 t -109.33 -40.59 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 120.864 0.364 . . . . 10.0 110.442 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.477 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -92.05 -147.68 21.06 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.735 -0.745 . . . . 10.0 112.082 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -68.95 116.06 8.98 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.96 150.08 17.49 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.376 0.51 . . . . 10.0 112.376 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -164.95 -167.91 1.32 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.492 -0.776 . . . . 10.0 109.457 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -134.52 132.74 6.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.299 -0.953 . . . . 10.0 113.678 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.756 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -84.37 147.75 26.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.703 0.287 . . . . 10.0 110.383 179.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.507 ' HB ' HG12 ' J' ' 31' ' ' ILE . 27.2 mm -96.82 92.22 2.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.17 0.509 . . . . 10.0 110.121 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.578 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.5 pt -110.53 131.98 60.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.996 -0.547 . . . . 10.0 111.429 -179.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.3 100.08 0.83 Allowed Glycine 0 N--CA 1.448 -0.535 0 N-CA-C 111.174 -0.77 . . . . 10.0 111.174 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.494 HD23 HD13 ' I' ' 17' ' ' LEU . 6.0 mp -96.3 99.17 10.89 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.886 0.374 . . . . 10.0 111.101 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mpt? -124.05 79.26 1.71 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.194 0.521 . . . . 10.0 110.471 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.4 HG13 ' HB ' ' J' ' 36' ' ' VAL . 40.1 t -86.59 114.89 26.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.842 -0.617 . . . . 10.0 109.889 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -107.53 111.13 3.35 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.362 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.23 112.98 1.36 Allowed Glycine 0 N--CA 1.445 -0.74 0 N-CA-C 110.751 -0.94 . . . . 10.0 110.751 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.98 131.17 68.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.46 0.647 . . . . 10.0 111.983 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.524 HG22 ' HB ' ' J' ' 40' ' ' VAL . 59.5 t . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 115.294 -0.866 . . . . 10.0 109.984 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 . . . . . 0 C--O 1.234 0.25 0 CA-C-O 120.983 0.421 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.745 ' HB ' HG12 ' K' ' 12' ' ' VAL . 3.9 t -116.83 122.26 69.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.13 -0.486 . . . . 10.0 109.724 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -90.18 121.43 32.2 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.024 0.44 . . . . 10.0 111.203 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.449 ' ND1' ' HB2' ' I' ' 14' ' ' HIS . 64.5 m-70 -124.31 84.7 2.31 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.034 -0.728 . . . . 10.0 109.034 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.471 ' HB3' ' OE1' ' I' ' 15' ' ' GLN . 9.1 tt0 -103.35 123.89 47.66 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 10.0 111.71 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -129.54 123.6 31.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.849 -0.614 . . . . 10.0 111.505 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.62 ' HB2' HD23 ' I' ' 17' ' ' LEU . 7.3 mp -112.76 117.26 31.7 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.51 -0.768 . . . . 10.0 109.293 179.153 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.0 t -119.03 122.97 70.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.4 -179.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -123.05 116.79 24.09 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.901 0.382 . . . . 10.0 111.25 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -104.98 114.09 28.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.83 -0.623 . . . . 10.0 110.052 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.2 115.36 21.63 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.637 -0.505 . . . . 10.0 109.637 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.578 ' HA ' ' HG3' ' I' ' 22' ' ' GLU . 58.4 mt-10 -95.71 156.08 16.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.586 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.0 m-20 -143.91 59.07 1.37 Allowed 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.786 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 41.4 t -77.36 -21.89 14.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.062 0.458 . . . . 10.0 111.183 -179.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -92.68 -63.28 1.11 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.151 -1.023 . . . . 10.0 111.223 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.477 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.7 p -169.17 124.16 0.86 Allowed 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.621 HD21 ' HA ' ' I' ' 23' ' ' ASP . 0.8 OUTLIER -64.62 154.17 37.2 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.37 0.419 . . . . 10.0 110.266 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.542 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 8.5 tptt -145.82 -91.18 0.1 Allowed 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.897 -0.321 . . . . 10.0 111.133 179.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.756 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.47 93.19 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.656 0 C-N-CA 119.915 -1.136 . . . . 10.0 112.862 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.685 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -81.41 148.58 29.22 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 110.131 -0.322 . . . . 10.0 110.131 179.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.757 HG22 ' HA ' ' K' ' 31' ' ' ILE . 0.4 OUTLIER -97.69 117.16 41.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.723 0.773 . . . . 10.0 109.774 179.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.578 ' HB ' HG22 ' I' ' 32' ' ' ILE . 35.2 mt -129.19 119.83 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.388 -0.824 . . . . 10.0 110.865 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -108.45 118.72 5.45 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 111.202 -0.759 . . . . 10.0 111.202 179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.479 HD23 ' HG ' ' I' ' 34' ' ' LEU . 1.8 mm? -112.92 88.22 2.78 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.901 -0.407 . . . . 10.0 109.901 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.539 ' HG2' ' HA2' ' B' ' 37' ' ' GLY . 2.2 mpt? -116.14 88.64 2.93 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.448 0.642 . . . . 10.0 111.275 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.4 ' HB ' HG13 ' I' ' 36' ' ' VAL . 40.5 t -92.62 133.04 35.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.487 -0.778 . . . . 10.0 109.572 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 0.514 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.48 105.17 1.18 Allowed Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.768 -0.73 . . . . 10.0 112.575 -179.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.46 105.74 1.78 Allowed Glycine 0 N--CA 1.446 -0.682 0 N-CA-C 111.082 -0.807 . . . . 10.0 111.082 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.451 HG12 HG23 ' B' ' 31' ' ' ILE . 2.6 t -113.15 116.23 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 120.748 0.309 . . . . 10.0 110.708 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.524 ' HB ' HG22 ' I' ' 40' ' ' VAL . 46.4 t -125.37 128.58 72.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.622 0.248 . . . . 10.0 110.534 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.41 HD12 ' HB ' ' B' ' 31' ' ' ILE . 8.1 tp -66.85 127.76 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.159 0.504 . . . . 10.0 111.437 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.408 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.593 0.711 . . . . 10.0 110.208 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.745 HG12 ' HB ' ' J' ' 12' ' ' VAL . 14.4 m -92.35 119.61 40.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 114.961 -1.018 . . . . 10.0 111.672 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -77.07 93.94 3.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.343 -0.844 . . . . 10.0 108.999 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . 0.52 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 0.2 OUTLIER -85.88 96.04 9.65 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.143 0.497 . . . . 10.0 111.333 -179.684 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -104.9 106.64 17.23 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.458 -0.792 . . . . 10.0 109.116 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . 0.411 ' HB3' ' HG3' ' L' ' 16' ' ' LYS . 88.5 tttt -117.18 122.54 44.34 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.038 0.447 . . . . 10.0 112.189 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 41.8 mt -122.38 113.89 20.0 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.209 -1.034 . . . . 10.0 108.209 178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.699 HG13 HG13 ' L' ' 18' ' ' VAL . 7.6 p -133.37 132.32 57.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.504 0.669 . . . . 10.0 112.563 -178.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.513 ' HE2' HD11 ' L' ' 32' ' ' ILE . 10.9 m-85 -121.17 128.27 52.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.244 -0.889 . . . . 10.0 110.155 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -109.23 107.22 17.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.249 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.36 118.27 32.26 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.888 -0.412 . . . . 10.0 109.888 179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 28.2 mt-10 -110.53 149.26 30.61 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.043 -179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.469 ' O ' ' HB ' ' J' ' 24' ' ' VAL . 4.2 t0 -137.14 116.91 13.07 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.405 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . . . . . . . . . 1.6 t -127.98 15.65 3.15 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 N-CA-C 108.966 -0.753 . . . . 10.0 108.966 178.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -137.27 -58.78 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.47 -0.871 . . . . 10.0 112.781 -178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.09 95.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.405 0.282 . . . . 10.0 110.671 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -58.55 149.62 25.02 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.973 0.416 . . . . 10.0 111.632 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.725 ' HD2' ' HA ' ' L' ' 28' ' ' LYS . 31.1 ttmt -133.51 -111.5 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 10.0 111.169 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.685 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -160.91 106.95 0.3 Allowed Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.081 -1.057 . . . . 10.0 113.203 -179.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.593 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.3 162.12 22.38 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.668 -0.493 . . . . 10.0 109.668 179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.757 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.0 OUTLIER -117.83 87.84 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.259 -0.645 . . . . 10.0 109.259 179.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.533 HG22 HG12 ' L' ' 32' ' ' ILE . 25.9 pt -113.71 126.16 71.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.135 0.493 . . . . 10.0 111.789 -178.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.83 117.3 3.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 10.0 112.045 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.498 HD23 HD13 ' K' ' 17' ' ' LEU . 6.6 mp -108.64 102.23 11.31 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.82 0.343 . . . . 10.0 110.244 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.451 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.5 mpp? -121.82 87.98 2.85 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.323 0.582 . . . . 10.0 111.144 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.525 HG13 ' HB ' ' L' ' 36' ' ' VAL . 41.7 t -96.33 114.96 34.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.849 -0.614 . . . . 10.0 109.499 179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.01 124.26 6.28 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.466 -0.873 . . . . 10.0 113.004 -179.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.62 123.46 3.36 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 121.113 -0.565 . . . . 10.0 111.784 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' C' ' 31' ' ' ILE . 8.2 p -119.16 119.35 60.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.387 0.613 . . . . 10.0 111.055 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.618 -179.624 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' M' ' 11' ' ' GLU . 6.2 tp10 . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.409 0.147 . . . . 10.0 110.943 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . . . . . . . . . 13.7 p -156.58 140.73 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 C-N-CA 120.957 -0.297 . . . . 10.0 111.58 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . 0.561 ' HA ' ' HB3' ' M' ' 13' ' ' HIS . 1.4 t60 -81.43 131.67 35.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.265 0.555 . . . . 10.0 111.989 -178.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . 0.52 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 40.2 m-70 -132.61 86.99 2.37 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.35 -0.841 . . . . 10.0 109.598 179.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . 0.484 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 19.9 pt20 -110.8 135.31 51.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.499 0.666 . . . . 10.0 112.554 -179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . 0.411 ' HG3' ' HB3' ' K' ' 16' ' ' LYS . 38.8 ttpt -136.99 120.12 16.65 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 114.972 -1.013 . . . . 10.0 110.43 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mp -112.54 120.54 41.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.848 -0.614 . . . . 10.0 109.404 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.808 ' HB ' HG12 ' M' ' 18' ' ' VAL . 10.5 t -125.27 126.24 70.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.15 -178.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.418 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 33.6 m-85 -119.79 125.64 49.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.181 179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -106.65 121.93 45.32 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.111 -0.495 . . . . 10.0 111.242 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -126.5 101.06 6.51 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.69 -0.855 . . . . 10.0 108.69 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -104.55 80.85 1.72 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.039 -0.528 . . . . 10.0 111.51 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . 0.451 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 0.6 OUTLIER -77.05 112.72 14.0 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.191 -0.459 . . . . 10.0 109.981 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . . . . . . . . . 90.5 t -111.04 -24.55 3.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 120.774 0.321 . . . . 10.0 110.888 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -90.96 -79.21 1.38 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.688 -0.768 . . . . 10.0 113.041 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . 0.467 ' C ' HD22 ' M' ' 27' ' ' ASN . 58.9 m -153.66 101.33 2.47 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.892 0.377 . . . . 10.0 110.594 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . 0.408 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.6 OUTLIER -51.29 149.07 4.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 114.995 -1.002 . . . . 10.0 113.282 -178.547 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.921 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 44.6 tttm -137.24 -86.92 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.398 -0.819 . . . . 10.0 110.289 178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . 0.593 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 159.2 113.6 0.35 Allowed Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.401 179.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -88.54 156.04 19.3 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.981 -0.377 . . . . 10.0 109.981 179.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.47 ' HB ' HD12 ' K' ' 31' ' ' ILE . 4.6 tp -112.13 102.41 13.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.562 0.696 . . . . 10.0 110.435 179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.533 HG12 HG22 ' K' ' 32' ' ' ILE . 41.7 pt -128.99 142.45 44.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.436 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.21 124.24 5.41 Favored Glycine 0 N--CA 1.442 -0.935 0 CA-C-N 115.467 -0.788 . . . . 10.0 111.958 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.487 HD23 ' HG ' ' K' ' 34' ' ' LEU . 2.5 mm? -104.41 90.67 3.61 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.341 -0.615 . . . . 10.0 109.341 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.544 ' HG2' ' HA2' ' D' ' 37' ' ' GLY . 3.2 mpp? -111.3 106.59 15.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.127 0.489 . . . . 10.0 111.604 -178.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.525 ' HB ' HG13 ' K' ' 36' ' ' VAL . 24.3 t -107.93 130.59 60.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.743 -0.662 . . . . 10.0 109.63 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.599 ' HA2' ' HG2' ' D' ' 35' ' ' MET . . . -118.61 109.48 1.76 Allowed Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.644 -0.788 . . . . 10.0 112.696 -179.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.36 120.83 5.08 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.83 -0.7 . . . . 10.0 112.035 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.445 HG22 ' HA3' ' D' ' 33' ' ' GLY . 42.5 t -125.44 119.61 55.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.23 -0.656 . . . . 10.0 109.23 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 p -143.67 134.73 22.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.126 0.489 . . . . 10.0 112.272 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.92 136.92 21.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.388 179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.371 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' L' ' 11' ' ' GLU . 2.0 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.274 0.559 . . . . 10.0 110.477 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -72.24 148.2 9.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.47 -0.786 . . . . 10.0 111.399 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . 0.561 ' HB3' ' HA ' ' L' ' 13' ' ' HIS . 4.3 t60 -98.32 91.2 5.11 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.338 179.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.1 m170 -83.34 110.68 18.33 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.197 0.522 . . . . 10.0 111.019 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 47.0 tt0 -127.43 108.5 10.88 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.551 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -129.46 125.86 37.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.035 0.445 . . . . 10.0 111.391 -179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.709 HD22 HD23 ' M' ' 34' ' ' LEU . 4.3 mp -125.34 118.07 25.13 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.914 -0.773 . . . . 10.0 108.914 178.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.808 HG12 ' HB ' ' L' ' 18' ' ' VAL . 1.3 m -127.45 128.05 69.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.336 0.589 . . . . 10.0 112.106 -178.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 26.6 m-85 -120.56 121.17 37.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.463 -0.789 . . . . 10.0 109.652 179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -102.32 119.04 38.15 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.074 -0.512 . . . . 10.0 110.689 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.41 102.88 7.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.082 0.467 . . . . 10.0 109.749 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -106.65 136.85 45.73 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.993 -0.549 . . . . 10.0 111.292 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -128.59 143.19 50.91 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.053 0.454 . . . . 10.0 111.08 179.431 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.95 4.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.503 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.521 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -129.78 -79.83 0.23 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.461 -0.876 . . . . 10.0 113.236 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.18 124.95 12.6 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 110.089 -0.337 . . . . 10.0 110.089 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . 0.467 HD22 ' C ' ' L' ' 26' ' ' SER . 4.7 m-80 -82.94 148.57 27.55 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.058 0.456 . . . . 10.0 111.557 -178.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.921 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 65.2 mttt -132.29 -102.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.376 178.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . 0.528 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 179.37 114.41 0.42 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 119.938 -1.125 . . . . 10.0 113.024 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.482 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -85.09 156.32 21.12 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 109.941 -0.392 . . . . 10.0 109.941 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.57 ' O ' ' HA ' ' N' ' 31' ' ' ILE . 1.2 mt -113.24 92.89 2.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.384 -0.599 . . . . 10.0 109.384 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.531 HG23 ' HB ' ' N' ' 32' ' ' ILE . 20.8 mt -118.2 125.38 74.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.948 0.404 . . . . 10.0 111.063 -179.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.02 110.5 2.1 Favored Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 120.667 -0.778 . . . . 10.0 111.984 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.709 HD23 HD22 ' M' ' 17' ' ' LEU . 7.0 mp -97.98 105.99 18.22 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.269 -0.641 . . . . 10.0 109.269 179.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' N' ' 35' ' ' MET . 0.0 OUTLIER -127.94 87.85 2.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.56 0.695 . . . . 10.0 111.124 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.537 HG12 ' HB ' ' N' ' 36' ' ' VAL . 3.6 m -105.02 129.7 57.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.463 -0.789 . . . . 10.0 110.249 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . 0.582 ' HA3' ' SD ' ' E' ' 35' ' ' MET . . . -130.71 145.43 16.81 Favored Glycine 0 N--CA 1.442 -0.951 0 C-N-CA 120.436 -0.888 . . . . 10.0 112.921 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.21 124.12 1.97 Allowed Glycine 0 N--CA 1.442 -0.912 0 C-N-CA 121.123 -0.56 . . . . 10.0 111.932 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -116.32 117.1 54.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.355 0.597 . . . . 10.0 110.806 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 115.644 -0.707 . . . . 10.0 110.854 -179.44 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' O' ' 11' ' ' GLU . 1.3 tp10 . . . . . 0 C--O 1.233 0.197 0 CA-C-O 121.186 0.517 . . . . 10.0 109.896 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.822 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -89.17 111.09 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.829 -0.804 . . . . 10.0 108.829 179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 39.1 t60 -84.07 126.68 33.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.657 0.265 . . . . 10.0 111.176 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 80.7 m-70 -124.67 94.17 4.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.253 -0.43 . . . . 10.0 110.286 179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -112.34 113.05 25.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.92 0.39 . . . . 10.0 110.74 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -129.23 117.93 21.54 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.338 0.589 . . . . 10.0 112.027 -179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -112.52 115.61 28.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.256 -0.884 . . . . 10.0 109.072 179.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.849 ' HB ' HG12 ' O' ' 18' ' ' VAL . 6.7 t -121.19 118.65 56.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.981 0.419 . . . . 10.0 110.706 -179.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -117.87 125.8 51.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.426 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -106.64 125.84 51.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.554 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.7 89.6 2.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 178.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -109.91 110.0 20.81 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.843 -0.617 . . . . 10.0 110.816 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . 0.415 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 29.9 m-20 -112.52 119.48 38.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.192 0.52 . . . . 10.0 110.868 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' O' ' 24' ' ' VAL . 18.3 m -101.07 3.29 10.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.88 -0.6 . . . . 10.0 111.182 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . 0.521 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -108.18 -84.53 1.64 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.558 -0.829 . . . . 10.0 111.782 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 84.5 p -149.31 101.85 3.16 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.205 -0.665 . . . . 10.0 109.205 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.48 ' HA ' ' HB3' ' O' ' 27' ' ' ASN . 1.5 m120 -60.65 138.82 58.03 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.839 -0.618 . . . . 10.0 111.261 -179.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.532 ' HB2' ' O ' ' O' ' 27' ' ' ASN . 0.3 OUTLIER -121.25 -67.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.378 -0.601 . . . . 10.0 109.378 178.674 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.482 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 138.66 119.93 1.77 Allowed Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.031 -1.081 . . . . 10.0 113.192 179.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.467 ' HB2' ' HA2' ' O' ' 29' ' ' GLY . . . -96.31 165.59 12.13 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.226 -0.657 . . . . 10.0 109.226 179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.57 ' HA ' ' O ' ' M' ' 31' ' ' ILE . 9.8 tt -113.42 112.27 39.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.562 0.696 . . . . 10.0 111.299 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.531 ' HB ' HG23 ' M' ' 32' ' ' ILE . 23.2 mt -120.65 125.53 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.301 -0.863 . . . . 10.0 110.471 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.14 116.82 4.21 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 111.269 -0.732 . . . . 10.0 111.269 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.4 ' HB2' ' HA ' ' M' ' 34' ' ' LEU . 2.6 mm? -105.58 94.97 5.49 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.748 -0.464 . . . . 10.0 109.748 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.836 ' HG3' ' HG3' ' M' ' 35' ' ' MET . 2.5 mpt? -115.11 92.21 3.86 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.119 0.485 . . . . 10.0 111.117 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.537 ' HB ' HG12 ' M' ' 36' ' ' VAL . 44.2 t -112.75 125.36 70.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.004 -0.544 . . . . 10.0 109.881 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.811 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -130.02 139.98 11.38 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.693 -0.765 . . . . 10.0 112.923 -179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.55 137.58 9.45 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.981 -0.628 . . . . 10.0 111.936 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.726 ' HB ' HG12 ' O' ' 39' ' ' VAL . 44.3 t -127.04 129.78 71.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.687 -0.486 . . . . 10.0 109.687 -179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.478 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 3.6 p -150.18 129.5 3.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.061 0.458 . . . . 10.0 111.982 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.455 HG23 HG12 ' G' ' 31' ' ' ILE . 6.5 pt -68.66 138.97 21.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.016 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.567 0 CA-C-N 116.002 -0.544 . . . . 10.0 110.268 179.717 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' N' ' 11' ' ' GLU . 18.3 mm-40 . . . . . 0 C--O 1.235 0.308 0 N-CA-C 109.804 -0.443 . . . . 10.0 109.804 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . 0.822 HG12 ' HB ' ' N' ' 12' ' ' VAL . 17.3 m -113.82 131.53 65.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.663 0.986 . . . . 10.0 113.663 -178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -96.49 99.15 10.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.029 -1.1 . . . . 10.0 108.029 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -89.47 106.49 18.49 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.747 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -115.07 94.47 4.76 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.978 -0.749 . . . . 10.0 108.978 178.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . 0.405 ' HE2' ' HB3' ' O' ' 16' ' ' LYS . 4.8 tmmm? -112.52 117.99 33.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.514 -178.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 20.2 mt -120.57 118.1 29.31 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.128 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB ' ' N' ' 18' ' ' VAL . 3.1 m -130.63 133.19 63.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.477 0.656 . . . . 10.0 112.699 -178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -127.04 120.88 30.05 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.253 -0.885 . . . . 10.0 109.778 179.285 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 36.9 m-85 -102.99 112.08 24.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.193 -0.458 . . . . 10.0 111.01 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' P' ' 21' ' ' ALA . . . -123.13 123.62 41.23 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -137.08 134.45 36.51 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.514 -0.312 . . . . 10.0 111.639 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . 0.419 ' O ' HG22 ' N' ' 24' ' ' VAL . 5.4 t70 -113.69 140.62 48.09 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.971 -0.559 . . . . 10.0 110.556 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.547 ' HA ' HG22 ' N' ' 24' ' ' VAL . 92.4 t -120.86 -8.02 10.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.455 0.645 . . . . 10.0 109.599 179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . 0.556 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -122.62 -69.76 0.24 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.291 -0.957 . . . . 10.0 113.537 -178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 59.4 m -156.7 104.78 2.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.519 0.2 . . . . 10.0 111.011 -179.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.85 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.5 t-20 -57.84 143.84 40.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.154 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' P' ' 28' ' ' LYS . 54.6 tttp -124.83 -62.09 1.26 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.836 -0.62 . . . . 10.0 109.379 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.467 ' HA2' ' HB2' ' N' ' 30' ' ' ALA . . . 124.05 122.64 2.71 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 120.401 -0.904 . . . . 10.0 113.016 179.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . 0.429 ' HA ' ' CA ' ' P' ' 29' ' ' GLY . . . -98.17 174.91 6.29 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 122.361 0.264 . . . . 10.0 110.761 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . 0.458 ' HB ' HD13 ' P' ' 31' ' ' ILE . 15.2 mt -109.75 100.31 10.5 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 109.169 -0.678 . . . . 10.0 109.169 179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 19.5 mt -112.33 117.95 56.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.52 -179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.37 121.04 4.63 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.641 -0.79 . . . . 10.0 112.024 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 mp -115.91 104.66 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.846 -0.427 . . . . 10.0 109.846 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.917 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 4.3 mpp? -117.51 105.98 12.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.625 -179.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . 0.411 ' HB ' HG13 ' N' ' 36' ' ' VAL . 48.2 t -116.73 121.12 67.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.906 -0.588 . . . . 10.0 109.96 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . 0.694 ' HA3' ' HG3' ' G' ' 35' ' ' MET . . . -131.45 118.23 2.32 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.743 -0.741 . . . . 10.0 111.918 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.18 137.35 9.3 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.6 -0.81 . . . . 10.0 112.583 -179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.726 HG12 ' HB ' ' N' ' 39' ' ' VAL . 33.0 m -122.6 136.96 57.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.845 0.355 . . . . 10.0 110.63 179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.478 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 4.9 p . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.915 -0.584 . . . . 10.0 110.966 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 C--O 1.238 0.466 0 N-CA-C 110.197 -0.297 . . . . 10.0 110.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . 0.516 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -60.22 136.96 23.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.225 0.328 . . . . 10.0 110.791 179.316 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 77.4 t60 -62.56 128.18 34.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.484 0.92 . . . . 10.0 113.484 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -120.86 113.94 20.87 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.056 -0.974 . . . . 10.0 108.857 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -117.82 125.85 51.32 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.5 . . . . 10.0 111.244 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 tttm -132.73 112.38 11.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.746 -0.661 . . . . 10.0 110.359 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.52 HD23 ' HG ' ' P' ' 34' ' ' LEU . 7.2 mp -118.76 112.2 19.44 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.159 -0.473 . . . . 10.0 110.03 179.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 16.7 t -119.82 120.13 62.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.163 -0.472 . . . . 10.0 110.466 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -124.92 143.69 50.73 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.675 0.274 . . . . 10.0 110.898 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -121.52 126.13 48.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 10.0 111.501 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . 0.409 ' O ' ' HA ' ' O' ' 21' ' ' ALA . . . -131.88 84.29 2.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.359 179.103 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.47 165.11 11.81 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.85 -0.614 . . . . 10.0 111.727 -178.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -150.75 147.36 27.22 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.117 178.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.441 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.1 t -128.16 2.78 3.2 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-N 116.469 -0.332 . . . . 10.0 110.778 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . 0.556 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -136.7 -56.79 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.098 -1.049 . . . . 10.0 113.436 -178.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 62.4 m -157.83 107.46 2.12 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.777 0.323 . . . . 10.0 110.19 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.85 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 28.4 t-20 -54.68 139.5 38.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.814 -0.63 . . . . 10.0 110.853 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . 0.56 ' HG2' ' H ' ' P' ' 29' ' ' GLY . 30.9 tttp -119.95 -153.87 0.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.426 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . 0.56 ' H ' ' HG2' ' P' ' 28' ' ' LYS . . . -146.65 113.22 0.65 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 111.408 -0.677 . . . . 10.0 111.408 179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.53 170.17 8.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.664 0.269 . . . . 10.0 110.828 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.458 HD13 ' HB ' ' O' ' 31' ' ' ILE . 1.7 mm -99.58 114.57 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.461 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 42.1 mt -129.11 110.4 20.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 N-CA-C 109.186 -0.672 . . . . 10.0 109.186 179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . 0.533 ' HA3' HG11 ' H' ' 39' ' ' VAL . . . -123.81 121.21 4.4 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.394 -0.908 . . . . 10.0 112.613 -179.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.52 ' HG ' HD23 ' P' ' 17' ' ' LEU . 2.7 mm? -110.88 106.42 15.55 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.647 -0.501 . . . . 10.0 109.647 179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.516 ' SD ' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mtm -113.24 108.98 18.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.378 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 41.0 t -114.59 128.55 71.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.442 -179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . 0.625 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -129.51 142.88 14.04 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.759 -0.734 . . . . 10.0 112.261 179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -143.28 131.64 4.63 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.717 -0.754 . . . . 10.0 112.481 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 m -126.18 133.57 68.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.434 0.159 . . . . 10.0 111.259 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' O' ' 40' ' ' VAL . 8.7 p -173.85 162.67 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 110.333 -0.247 . . . . 10.0 110.333 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 10.2 pt -93.43 176.78 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.631 0.253 . . . . 10.0 110.477 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.455 -0.783 . . . . 10.0 110.552 -179.696 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.623 ' HB2' HG11 ' B' ' 12' ' ' VAL . 4.3 mm-40 . . . . . 0 N--CA 1.482 1.138 0 CA-C-O 120.609 0.242 . . . . 10.0 110.411 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -108.41 147.52 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.781 0.324 . . . . 10.0 111.149 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.442 ' CE1' ' HB3' ' B' ' 13' ' ' HIS . 4.2 t60 -68.5 102.63 1.49 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.645 -0.707 . . . . 10.0 109.148 178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.439 ' HB2' ' ND1' ' B' ' 14' ' ' HIS . 59.7 m170 -92.36 88.5 6.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.249 0.547 . . . . 10.0 111.28 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.532 ' HA ' ' O ' ' B' ' 15' ' ' GLN . 6.6 tt0 -106.8 120.34 41.76 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.713 -0.676 . . . . 10.0 109.606 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -130.78 126.11 35.51 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.147 0.498 . . . . 10.0 111.765 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.4 mt -113.71 117.15 30.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.269 -1.011 . . . . 10.0 108.269 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -129.43 125.21 61.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.667 0.618 . . . . 10.0 112.667 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -116.33 121.18 41.21 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.577 -0.738 . . . . 10.0 109.455 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -114.26 99.23 7.45 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.249 -0.432 . . . . 10.0 111.445 -178.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.08 136.52 40.8 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.735 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.742 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 4.4 mm-40 -85.59 177.45 7.72 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.365 -0.379 . . . . 10.0 111.293 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' B' ' 27' ' ' ASN . 29.7 t70 -157.91 87.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.865 0.364 . . . . 10.0 111.321 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.794 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 26.0 t -122.56 -38.99 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.062 0.458 . . . . 10.0 110.307 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.522 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -93.07 -153.31 30.15 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 10.0 111.976 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.49 115.77 4.17 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.011 -0.366 . . . . 10.0 110.011 179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.05 141.8 44.48 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.397 0.518 . . . . 10.0 112.397 -178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.719 ' HD3' ' HA ' ' B' ' 28' ' ' LYS . 7.8 tttt -164.5 176.48 8.95 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.979 -0.749 . . . . 10.0 108.979 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -123.4 147.92 16.71 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.119 -1.039 . . . . 10.0 113.106 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.686 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -88.49 161.77 16.82 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.968 0.413 . . . . 10.0 110.848 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' B' ' 31' ' ' ILE . 12.7 mm -105.2 82.78 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.348 0.594 . . . . 10.0 109.41 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.568 HG22 ' HB ' ' B' ' 32' ' ' ILE . 16.5 pt -103.09 133.05 47.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.781 -0.645 . . . . 10.0 111.358 -179.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.16 99.89 0.86 Allowed Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 111.16 -0.776 . . . . 10.0 111.16 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.2 mp -92.14 97.83 11.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.606 0.241 . . . . 10.0 110.58 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.45 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 2.4 mpt? -129.47 74.26 1.57 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.282 0.563 . . . . 10.0 110.876 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.66 HG13 ' HB ' ' B' ' 36' ' ' VAL . 24.7 t -90.92 134.61 29.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.811 -0.631 . . . . 10.0 109.513 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -121.28 125.93 6.36 Favored Glycine 0 N--CA 1.442 -0.947 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.498 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.08 112.59 0.94 Allowed Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.426 -1.069 . . . . 10.0 110.426 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -133.44 123.48 46.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.452 0.644 . . . . 10.0 111.922 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.448 HG22 ' HB ' ' B' ' 40' ' ' VAL . 54.5 t . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.428 -0.806 . . . . 10.0 109.911 179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.98 0.419 . . . . 10.0 110.448 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.623 HG11 ' HB2' ' A' ' 11' ' ' GLU . 4.1 t -115.66 118.47 58.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.715 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . 0.442 ' HB3' ' CE1' ' A' ' 13' ' ' HIS . 4.3 t60 -85.4 118.65 25.06 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 120.959 0.409 . . . . 10.0 111.461 -178.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.439 ' ND1' ' HB2' ' A' ' 14' ' ' HIS . 27.7 m-70 -118.79 101.15 7.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.021 -0.733 . . . . 10.0 109.021 179.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.532 ' O ' ' HA ' ' A' ' 15' ' ' GLN . 10.1 tt0 -117.91 127.6 54.0 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.972 0.415 . . . . 10.0 111.407 -179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -131.93 125.18 31.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.924 -0.58 . . . . 10.0 111.093 179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.483 ' HG ' ' HB2' ' C' ' 17' ' ' LEU . 8.6 mp -112.67 111.6 22.52 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.708 179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 3.8 t -116.17 121.69 68.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.055 -0.52 . . . . 10.0 110.31 -179.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -123.01 113.17 18.7 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.265 -0.425 . . . . 10.0 111.666 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -100.2 122.22 42.69 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.286 -0.635 . . . . 10.0 109.286 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.84 113.68 13.18 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.046 -0.353 . . . . 10.0 110.046 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.742 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 32.6 mt-10 -87.51 159.26 18.7 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.556 -0.293 . . . . 10.0 110.948 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.473 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 7.6 m-20 -147.0 51.66 1.09 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.263 -0.643 . . . . 10.0 109.263 -179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.794 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 76.9 t -73.7 -26.49 21.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.006 0.432 . . . . 10.0 111.119 -179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.57 -65.18 1.36 Allowed Glycine 0 N--CA 1.442 -0.903 0 C-N-CA 120.197 -1.001 . . . . 10.0 111.82 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.522 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 55.6 p -167.27 120.64 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.661 -0.496 . . . . 10.0 109.661 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.527 HD21 ' HA ' ' A' ' 23' ' ' ASP . 1.2 m120 -62.57 146.74 51.1 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 123.353 0.408 . . . . 10.0 110.055 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.719 ' HA ' ' HD3' ' A' ' 28' ' ' LYS . 22.6 tptt -139.29 -75.71 0.36 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.534 -0.303 . . . . 10.0 111.189 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.686 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 145.25 98.75 0.25 Allowed Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.335 -0.936 . . . . 10.0 112.714 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.753 ' HA ' ' HA2' ' C' ' 29' ' ' GLY . . . -84.73 153.82 22.82 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.487 -0.19 . . . . 10.0 110.487 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' C' ' 31' ' ' ILE . 0.3 OUTLIER -98.97 117.12 43.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.615 0.722 . . . . 10.0 109.73 179.291 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.568 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.0 mt -131.66 115.91 29.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.746 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.443 ' HA3' ' CG2' ' J' ' 39' ' ' VAL . . . -105.1 120.07 6.41 Favored Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.74 -0.743 . . . . 10.0 111.278 179.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -113.37 91.42 3.64 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.707 -0.479 . . . . 10.0 109.707 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.473 ' HB2' ' HG3' ' C' ' 35' ' ' MET . 2.5 mpt? -121.65 85.72 2.46 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.314 0.578 . . . . 10.0 111.357 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.66 ' HB ' HG13 ' A' ' 36' ' ' VAL . 35.3 t -95.22 132.92 37.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.432 179.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.49 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -117.33 106.98 1.48 Allowed Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.819 -0.705 . . . . 10.0 113.369 -179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 105.17 2.02 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 110.618 -0.993 . . . . 10.0 110.618 178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' C' ' 39' ' ' VAL . 2.4 t -113.96 119.93 62.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.654 0.264 . . . . 10.0 110.928 -178.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.448 ' HB ' HG22 ' A' ' 40' ' ' VAL . 49.1 t -129.48 129.71 67.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 110.177 -0.305 . . . . 10.0 110.177 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.701 ' HA ' HG13 ' J' ' 31' ' ' ILE . 0.5 OUTLIER -64.61 142.01 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-O 120.827 0.346 . . . . 10.0 110.752 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.434 ' H ' HD13 ' B' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.387 -0.37 . . . . 10.0 111.009 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.701 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 C--O 1.233 0.23 0 CA-C-O 121.342 0.591 . . . . 10.0 111.191 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.531 HG12 ' HB ' ' B' ' 12' ' ' VAL . 27.2 m -89.82 127.5 42.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.685 -0.688 . . . . 10.0 112.15 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -83.48 97.46 9.01 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.168 -1.049 . . . . 10.0 108.168 179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.414 ' HB2' ' ND1' ' D' ' 14' ' ' HIS . 1.7 m-70 -84.71 107.26 16.81 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.183 0.516 . . . . 10.0 111.884 -179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -118.42 102.88 9.26 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.792 -0.818 . . . . 10.0 108.792 179.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -114.95 121.06 41.99 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.983 0.42 . . . . 10.0 111.957 -178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.483 ' HB2' ' HG ' ' B' ' 17' ' ' LEU . 49.4 mt -119.53 114.47 22.31 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.339 -0.985 . . . . 10.0 108.339 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.674 HG13 HG13 ' D' ' 18' ' ' VAL . 6.6 p -136.04 131.14 49.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.465 0.65 . . . . 10.0 112.543 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.455 ' HZ ' HD21 ' D' ' 34' ' ' LEU . 11.3 m-85 -118.53 132.7 56.21 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.898 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 81.4 m-85 -112.46 102.37 10.48 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.887 -0.597 . . . . 10.0 110.456 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.06 118.36 33.85 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.377 . . . . 10.0 110.082 179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 35.1 mt-10 -107.52 159.21 16.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.273 -0.422 . . . . 10.0 111.083 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.69 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.1 t70 -152.76 119.76 5.8 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.982 178.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.531 HG23 ' HA ' ' D' ' 24' ' ' VAL . 2.0 m -135.42 20.53 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.842 0 N-CA-C 108.729 -0.841 . . . . 10.0 108.729 177.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.3 -68.32 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.301 -0.863 . . . . 10.0 111.76 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 62.5 m -167.5 92.29 0.39 Allowed 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 122.686 0.395 . . . . 10.0 110.327 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.419 ' HA ' ' CG ' ' D' ' 27' ' ' ASN . 48.4 t30 -57.58 148.53 23.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.266 0.555 . . . . 10.0 111.797 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.463 ' HD3' ' HA ' ' D' ' 28' ' ' LYS . 61.6 tttt -135.17 -118.67 0.17 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.895 -0.593 . . . . 10.0 110.831 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.753 ' HA2' ' HA ' ' B' ' 30' ' ' ALA . . . -152.78 101.01 0.21 Allowed Glycine 0 N--CA 1.443 -0.864 0 C-N-CA 119.945 -1.122 . . . . 10.0 113.93 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.809 ' HA ' ' HA2' ' D' ' 29' ' ' GLY . . . -72.62 158.32 35.88 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 178.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.698 ' HA ' HG22 ' B' ' 31' ' ' ILE . 1.3 mt -116.25 85.84 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.097 0.475 . . . . 10.0 110.037 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.881 HG22 ' HB ' ' D' ' 32' ' ' ILE . 16.7 pt -115.16 138.56 45.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.132 0.491 . . . . 10.0 112.265 -178.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -132.9 122.05 3.08 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.355 -0.698 . . . . 10.0 111.355 179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.596 ' HG ' HD23 ' D' ' 34' ' ' LEU . 6.5 mp -111.12 101.18 9.72 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.848 0.356 . . . . 10.0 110.675 -179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.473 ' HG3' ' HB2' ' B' ' 35' ' ' MET . 3.7 mpp? -119.73 93.84 4.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.706 -179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.7 HG13 ' HB ' ' D' ' 36' ' ' VAL . 39.8 t -103.72 115.87 46.45 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.653 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.451 ' HA3' ' HE2' ' K' ' 35' ' ' MET . . . -112.16 127.34 8.02 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.756 -0.735 . . . . 10.0 112.738 -179.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.02 127.42 3.86 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.927 -0.654 . . . . 10.0 111.629 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' K' ' 31' ' ' ILE . 7.6 p -127.4 120.33 54.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.425 0.631 . . . . 10.0 111.683 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.332 -0.849 . . . . 10.0 110.301 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.747 0.308 . . . . 10.0 111.232 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.701 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 6.4 p -133.66 131.93 57.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.541 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -91.73 129.83 37.63 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.419 0.525 . . . . 10.0 112.419 -178.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.414 ' ND1' ' HB2' ' C' ' 14' ' ' HIS . 98.9 m-70 -132.91 94.95 3.46 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.459 -0.792 . . . . 10.0 109.064 178.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' E' ' 15' ' ' GLN . 29.4 pt20 -117.8 139.38 51.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.363 0.602 . . . . 10.0 112.507 -178.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -138.65 129.28 26.24 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.914 -179.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.447 ' HG ' ' HB2' ' E' ' 17' ' ' LEU . 8.4 mp -116.41 115.58 26.1 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.707 -0.678 . . . . 10.0 109.25 179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.741 ' HB ' HG12 ' E' ' 18' ' ' VAL . 4.8 t -123.07 119.13 56.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.309 -0.405 . . . . 10.0 110.611 -179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HD11 ' D' ' 34' ' ' LEU . 35.9 m-85 -116.63 123.48 47.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.212 -0.449 . . . . 10.0 110.665 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -104.54 127.75 52.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.848 -0.615 . . . . 10.0 111.196 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.12 103.24 5.47 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.917 -0.771 . . . . 10.0 108.917 178.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -104.57 88.08 2.85 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.172 -179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.64 ' HA ' HD21 ' E' ' 27' ' ' ASN . 0.7 OUTLIER -80.62 116.18 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.078 -0.51 . . . . 10.0 110.065 179.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.531 ' HA ' HG23 ' C' ' 24' ' ' VAL . 78.6 t -115.54 -27.32 2.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 10.0 111.276 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -87.91 -84.2 1.21 Allowed Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.447 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 39.3 m -148.49 104.35 3.49 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.635 -0.506 . . . . 10.0 109.635 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.69 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.6 OUTLIER -54.75 151.38 8.43 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.378 -0.828 . . . . 10.0 111.914 -179.052 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.827 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 47.4 tttm -138.64 -90.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.971 -0.559 . . . . 10.0 111.282 178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.809 ' HA2' ' HA ' ' C' ' 30' ' ' ALA . . . 170.83 110.54 0.24 Allowed Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.322 -0.942 . . . . 10.0 112.452 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -97.87 151.3 20.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.397 0.141 . . . . 10.0 110.871 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.712 HG13 HD13 ' L' ' 41' ' ' ILE . 6.0 mm -96.18 111.64 26.79 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.165 -0.47 . . . . 10.0 109.876 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.881 ' HB ' HG22 ' C' ' 32' ' ' ILE . 64.9 mt -129.77 107.2 14.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 116.267 -0.424 . . . . 10.0 109.949 179.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.439 ' HA3' HG11 ' L' ' 39' ' ' VAL . . . -105.1 117.52 5.6 Favored Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.692 -0.766 . . . . 10.0 112.215 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.596 HD23 ' HG ' ' C' ' 34' ' ' LEU . 2.3 mm? -104.67 98.88 8.56 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.822 -0.436 . . . . 10.0 109.822 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.571 ' HG2' ' CA ' ' L' ' 37' ' ' GLY . 2.2 mpp? -115.43 98.05 6.51 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.293 0.568 . . . . 10.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.7 ' HB ' HG13 ' C' ' 36' ' ' VAL . 35.9 t -105.87 128.06 60.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.545 -0.752 . . . . 10.0 109.372 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.581 ' CA ' ' HG2' ' L' ' 35' ' ' MET . . . -129.39 119.29 2.88 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.676 -0.774 . . . . 10.0 112.528 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.61 129.66 5.42 Favored Glycine 0 N--CA 1.444 -0.808 0 C-N-CA 120.315 -0.945 . . . . 10.0 112.393 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.501 ' CG2' HG23 ' E' ' 39' ' ' VAL . 3.7 m -128.01 143.08 41.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.237 -0.283 . . . . 10.0 110.237 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.449 ' HA ' ' O ' ' E' ' 40' ' ' VAL . 13.7 p -154.25 145.0 14.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.418 -0.355 . . . . 10.0 110.919 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.755 HD13 HG13 ' L' ' 31' ' ' ILE . 25.9 mm -65.74 131.68 31.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.489 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 CA-C-N 116.35 -0.386 . . . . 10.0 111.047 179.897 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.632 ' HA ' HG22 ' F' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 N--CA 1.456 -0.163 0 CA-C-O 121.985 0.898 . . . . 10.0 109.225 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.432 HG12 ' CG1' ' D' ' 12' ' ' VAL . 18.5 m -76.14 124.09 33.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.602 -1.181 . . . . 10.0 112.835 -178.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -87.25 92.12 8.96 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.379 -0.971 . . . . 10.0 108.379 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -89.49 107.17 18.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.235 0.541 . . . . 10.0 111.479 -179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.447 ' O ' ' HA ' ' D' ' 15' ' ' GLN . 1.9 tt0 -118.76 118.19 30.93 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.624 -0.716 . . . . 10.0 109.286 179.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -131.32 127.68 38.16 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.086 0.469 . . . . 10.0 111.466 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.447 ' HB2' ' HG ' ' D' ' 17' ' ' LEU . 25.5 mt -121.75 111.8 17.6 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.528 -0.915 . . . . 10.0 108.528 179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.741 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.1 m -125.79 129.94 72.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.276 0.56 . . . . 10.0 112.445 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -123.9 127.94 48.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.597 -0.729 . . . . 10.0 109.785 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -109.82 107.81 17.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.148 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.62 107.02 15.22 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.797 -0.446 . . . . 10.0 109.797 179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -108.69 140.78 41.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.966 -179.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . 0.485 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 0.4 OUTLIER -134.38 142.81 47.3 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.801 178.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.475 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 1.2 t -141.91 13.99 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.732 -0.667 . . . . 10.0 109.372 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -140.34 -63.43 0.03 OUTLIER Glycine 0 C--N 1.336 0.529 0 C-N-CA 120.058 -1.068 . . . . 10.0 114.205 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.1 p -164.13 115.75 1.33 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.183 0.492 . . . . 10.0 110.477 -179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.64 HD21 ' HA ' ' D' ' 23' ' ' ASP . 4.1 m120 -76.96 157.04 31.52 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.172 0.51 . . . . 10.0 111.591 -179.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.827 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.9 tttm -138.78 -100.91 0.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.177 179.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.483 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -178.03 111.17 0.32 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.107 -1.044 . . . . 10.0 113.115 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.547 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -85.75 168.2 14.55 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 110.058 -0.349 . . . . 10.0 110.058 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.654 HG12 HD11 ' L' ' 41' ' ' ILE . 0.4 OUTLIER -121.88 89.45 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 179.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -112.14 123.72 68.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-O 121.148 0.499 . . . . 10.0 111.245 -178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.97 110.21 1.41 Allowed Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.675 -0.693 . . . . 10.0 111.534 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.68 ' HG ' HD23 ' F' ' 34' ' ' LEU . 5.9 mp -102.19 105.29 15.94 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.918 0.389 . . . . 10.0 110.301 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.759 ' HG3' ' HA3' ' M' ' 37' ' ' GLY . 5.3 mmt -116.4 94.64 4.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.701 -0.681 . . . . 10.0 110.01 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' F' ' 36' ' ' VAL . 1.5 m -111.0 120.72 62.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.823 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.667 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -126.89 140.24 11.79 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.584 -0.817 . . . . 10.0 113.003 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.22 122.56 2.33 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.946 -0.645 . . . . 10.0 111.708 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.501 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.2 p -111.35 109.9 30.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.41 0.624 . . . . 10.0 110.624 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.581 HG12 ' HB2' ' F' ' 42' ' ' ALA . 21.4 t . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.695 -0.684 . . . . 10.0 110.945 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . 0.428 ' HB3' ' HG3' ' E' ' 11' ' ' GLU . 1.2 tp10 . . . . . 0 C--O 1.234 0.265 0 CA-C-O 121.297 0.57 . . . . 10.0 110.51 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 1.006 ' HB ' HG12 ' G' ' 12' ' ' VAL . 4.8 t -116.84 88.2 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 178.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -73.09 123.89 24.47 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.101 0.477 . . . . 10.0 111.477 -178.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.482 ' CD2' HG12 ' F' ' 12' ' ' VAL . 6.4 m-70 -124.82 97.95 5.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.742 -0.663 . . . . 10.0 110.691 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.437 ' HG3' ' HG2' ' G' ' 15' ' ' GLN . 9.0 tt0 -110.06 122.22 47.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.286 -0.415 . . . . 10.0 110.791 -179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -133.79 120.1 20.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.332 0.587 . . . . 10.0 112.035 -179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' G' ' 17' ' ' LEU . 7.0 mp -112.47 121.47 44.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.31 -0.859 . . . . 10.0 109.447 179.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.86 ' HB ' HG12 ' G' ' 18' ' ' VAL . 11.6 t -125.25 118.52 52.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.549 -179.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -118.23 127.72 54.01 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.443 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -110.32 128.47 55.56 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.225 -0.443 . . . . 10.0 111.206 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.0 93.61 3.22 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.053 -0.721 . . . . 10.0 109.053 178.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -101.5 95.94 6.81 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.74 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.57 ' HB2' ' ND2' ' F' ' 27' ' ' ASN . 20.2 m-20 -101.22 101.19 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.547 -0.538 . . . . 10.0 109.547 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.518 HG22 ' O ' ' G' ' 23' ' ' ASP . 12.4 m -98.38 8.08 8.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.421 0.526 . . . . 10.0 112.421 -179.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -120.23 -86.31 0.95 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.368 -0.92 . . . . 10.0 112.021 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.5 m -136.34 102.43 4.97 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.57 ' ND2' ' HB2' ' F' ' 23' ' ' ASP . 1.5 m120 -63.94 152.0 41.13 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.108 0.48 . . . . 10.0 111.26 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.559 ' HB2' ' O ' ' G' ' 27' ' ' ASN . 0.1 OUTLIER -138.14 -75.42 0.39 Allowed 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.079 -0.711 . . . . 10.0 109.079 178.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.547 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 140.56 119.44 1.6 Allowed Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.01 -1.091 . . . . 10.0 113.395 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.55 163.99 12.98 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.083 -0.71 . . . . 10.0 109.083 179.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.566 HG12 HG13 ' N' ' 39' ' ' VAL . 13.7 tt -109.03 114.42 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.552 0 CA-C-O 121.648 0.737 . . . . 10.0 110.794 179.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -119.44 116.71 51.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.843 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.466 ' HA3' HG22 ' N' ' 39' ' ' VAL . . . -108.41 107.94 2.59 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.246 -0.741 . . . . 10.0 111.246 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.68 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.0 mm? -100.24 101.42 12.43 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.974 -0.38 . . . . 10.0 109.974 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.915 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 3.5 mpp? -117.16 96.41 5.42 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.124 0.488 . . . . 10.0 110.585 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.539 ' HB ' HG12 ' E' ' 36' ' ' VAL . 32.4 t -117.37 129.35 74.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.055 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.908 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -141.5 151.64 22.82 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.687 -0.768 . . . . 10.0 112.925 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -141.61 143.11 12.63 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.902 -0.666 . . . . 10.0 112.274 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.592 HG13 HG12 ' N' ' 31' ' ' ILE . 23.2 t -125.12 124.53 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.873 -0.417 . . . . 10.0 109.873 -179.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 p -146.3 125.76 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 112.453 0.538 . . . . 10.0 112.453 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . . . . . . . . . 4.4 pt -70.88 104.11 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.615 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . 0.581 ' HB2' HG12 ' E' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.811 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 121.422 0.63 . . . . 10.0 111.059 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 1.006 HG12 ' HB ' ' F' ' 12' ' ' VAL . 17.9 m -113.82 130.59 67.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 CA-C-N 115.189 -0.914 . . . . 10.0 112.989 -178.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 t-80 -95.05 97.53 10.02 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 107.684 -1.228 . . . . 10.0 107.684 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.561 ' HB2' ' ND1' ' H' ' 14' ' ' HIS . 2.3 m-70 -86.59 120.42 27.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.084 0.469 . . . . 10.0 112.046 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.544 HE22 HG11 ' G' ' 36' ' ' VAL . 0.7 OUTLIER -122.42 99.68 6.54 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 178.922 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -114.9 120.75 41.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.168 0.509 . . . . 10.0 111.545 -179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.832 HD13 HD21 ' G' ' 34' ' ' LEU . 3.9 mt -124.43 115.75 21.44 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.221 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.86 HG12 ' HB ' ' F' ' 18' ' ' VAL . 3.0 m -128.17 132.59 68.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.824 0.676 . . . . 10.0 112.824 -178.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -125.63 123.65 39.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.044 179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -109.14 110.26 21.44 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.465 -0.334 . . . . 10.0 111.779 -178.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.465 ' HA ' ' O ' ' H' ' 21' ' ' ALA . . . -115.83 120.64 39.93 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.979 -0.748 . . . . 10.0 108.979 178.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -126.83 129.35 48.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.508 -0.315 . . . . 10.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.518 ' O ' HG22 ' F' ' 24' ' ' VAL . 7.1 t70 -117.65 129.01 55.47 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.236 178.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.626 ' HB ' ' HA ' ' H' ' 24' ' ' VAL . 18.2 t -116.69 3.38 7.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.195 0.522 . . . . 10.0 110.239 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -135.7 -70.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.161 -1.019 . . . . 10.0 113.621 -178.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -155.46 101.91 2.22 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.021 -0.362 . . . . 10.0 110.021 -179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.891 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 47.8 t-20 -68.88 148.82 49.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.826 0.346 . . . . 10.0 110.953 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.554 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 37.4 tttp -121.12 -83.79 0.66 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.914 -0.585 . . . . 10.0 109.983 179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 165.61 110.61 0.23 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 119.865 -1.16 . . . . 10.0 113.417 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.17 160.71 18.41 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.515 -0.18 . . . . 10.0 110.515 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 45.0 mt -104.9 98.92 7.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.183 -0.673 . . . . 10.0 109.183 179.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 62.8 mt -106.83 113.59 43.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.063 0.459 . . . . 10.0 110.637 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.64 112.27 2.41 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.832 HD21 HD13 ' G' ' 17' ' ' LEU . 30.4 tp -113.4 106.92 15.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.81 0.338 . . . . 10.0 110.314 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.995 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.5 mpt? -117.38 102.34 9.15 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.277 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.544 HG11 HE22 ' G' ' 15' ' ' GLN . 40.7 t -118.38 121.73 67.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.466 -0.334 . . . . 10.0 110.142 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.618 ' O ' ' HA2' ' H' ' 37' ' ' GLY . . . -142.81 145.28 15.17 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.944 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -154.19 148.43 18.98 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.323 -0.942 . . . . 10.0 112.628 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.497 HG22 ' HA ' ' H' ' 39' ' ' VAL . 20.9 m -119.23 147.11 23.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.72 0.295 . . . . 10.0 110.325 179.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.83 -179.899 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.407 0 N-CA-C 110.048 -0.353 . . . . 10.0 110.048 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.433 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -70.82 128.59 34.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.885 0.374 . . . . 10.0 110.552 179.419 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -64.69 132.31 49.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.107 0.78 . . . . 10.0 113.107 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.561 ' ND1' ' HB2' ' G' ' 14' ' ' HIS . 90.3 m-70 -116.55 115.78 26.38 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.447 -0.945 . . . . 10.0 108.447 178.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -112.5 120.55 42.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.781 0.324 . . . . 10.0 110.416 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 tttm -131.99 108.94 9.69 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.114 -0.494 . . . . 10.0 110.792 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD23 ' G' ' 17' ' ' LEU . 61.8 mt -116.32 116.83 28.46 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.278 179.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 14.1 t -119.55 121.21 65.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.859 -0.61 . . . . 10.0 110.43 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -123.32 134.38 54.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.857 0.36 . . . . 10.0 111.217 179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 72.9 m-85 -113.45 129.31 56.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.119 -0.491 . . . . 10.0 111.081 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.465 ' O ' ' HA ' ' G' ' 21' ' ' ALA . . . -144.09 84.3 1.77 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.93 -0.577 . . . . 10.0 109.454 179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 156.02 28.98 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.052 -0.522 . . . . 10.0 111.945 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.43 148.46 37.82 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.771 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.626 ' HA ' ' HB ' ' G' ' 24' ' ' VAL . 2.2 m -125.08 40.94 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.249 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.455 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -163.48 -70.44 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.876 -0.678 . . . . 10.0 112.259 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -146.79 86.66 1.66 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.868 0.366 . . . . 10.0 110.117 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.891 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.6 t-20 -54.33 126.68 24.14 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.594 -0.73 . . . . 10.0 111.11 -179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.496 ' O ' ' HB3' ' G' ' 28' ' ' LYS . 28.9 tttt -105.31 -77.61 0.58 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.812 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 126.76 125.79 2.87 Favored Glycine 0 N--CA 1.442 -0.958 0 CA-C-N 115.604 -0.725 . . . . 10.0 111.305 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.88 177.79 4.75 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.935 0.398 . . . . 10.0 111.192 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.4 pt -96.32 115.08 34.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 115.702 -0.681 . . . . 10.0 110.404 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 35.4 mt -120.59 101.27 10.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.76 112.59 3.01 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.623 -0.799 . . . . 10.0 112.101 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -116.09 101.94 9.18 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.872 0.368 . . . . 10.0 110.994 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.591 ' HG2' ' HA3' ' P' ' 37' ' ' GLY . 4.5 mpp? -106.92 99.88 9.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.101 179.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 24.3 t -107.84 130.16 60.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.969 -0.559 . . . . 10.0 110.53 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.981 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -141.55 146.0 16.83 Favored Glycine 0 N--CA 1.444 -0.819 0 C-N-CA 120.751 -0.738 . . . . 10.0 112.558 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.83 144.41 15.03 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 121.008 -0.615 . . . . 10.0 112.118 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.497 ' HA ' HG22 ' G' ' 39' ' ' VAL . 6.4 m -128.56 131.77 68.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.555 -0.165 . . . . 10.0 110.555 179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 6.2 p -166.08 162.14 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.297 -0.26 . . . . 10.0 110.297 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 pt -90.5 172.37 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.805 -0.442 . . . . 10.0 109.805 179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.42 -0.8 . . . . 10.0 110.637 -179.885 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.727 ' HB2' HG21 ' J' ' 12' ' ' VAL . 1.9 mm-40 . . . . . 0 N--CA 1.482 1.131 0 CA-C-O 120.851 0.358 . . . . 10.0 110.235 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 2.6 t -101.67 158.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.98 -0.554 . . . . 10.0 111.262 -178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -72.82 97.86 2.32 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.376 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -87.09 88.52 7.72 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.309 0.576 . . . . 10.0 111.115 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' J' ' 15' ' ' GLN . 10.2 tt0 -108.8 117.74 34.98 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.599 -0.728 . . . . 10.0 110.167 179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.2 ttpt -127.24 127.86 45.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.153 0.502 . . . . 10.0 112.207 -179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 12.6 mt -116.11 110.24 18.58 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -123.4 126.74 73.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.297 0.57 . . . . 10.0 112.473 -178.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 52.8 m-85 -118.48 119.83 35.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.932 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -112.85 111.92 23.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.716 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.67 135.31 54.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.294 -0.412 . . . . 10.0 109.948 179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.42 ' HB2' ' HA ' ' J' ' 22' ' ' GLU . 23.5 mm-40 -84.04 175.05 9.8 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.976 0.417 . . . . 10.0 111.82 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -153.51 82.27 1.17 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.027 -179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.878 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 52.7 t -116.36 -39.52 2.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.027 0.441 . . . . 10.0 110.454 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.581 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -91.66 -154.47 30.77 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.612 -0.804 . . . . 10.0 111.742 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.84 123.89 20.1 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -59.26 144.71 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.513 0.561 . . . . 10.0 112.513 -178.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.684 ' HD3' ' HA ' ' J' ' 28' ' ' LYS . 6.7 tttm -167.64 167.88 13.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.456 -0.793 . . . . 10.0 109.246 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -114.26 144.61 18.34 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.377 -0.916 . . . . 10.0 113.693 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.751 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -87.63 158.81 18.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.744 -0.228 . . . . 10.0 110.414 179.542 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.535 ' HB ' HG12 ' J' ' 31' ' ' ILE . 12.4 mm -103.15 90.32 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.362 0.601 . . . . 10.0 109.748 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 12.4 pt -109.5 128.33 65.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.736 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.67 100.6 1.13 Allowed Glycine 0 N--CA 1.448 -0.545 0 N-CA-C 111.316 -0.713 . . . . 10.0 111.316 179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mp -94.44 94.63 8.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.749 0.309 . . . . 10.0 111.205 -179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.421 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.5 mpt? -127.87 75.7 1.63 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.264 0.555 . . . . 10.0 110.797 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.743 HG13 ' HB ' ' J' ' 36' ' ' VAL . 18.4 t -93.26 129.34 43.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.716 -0.675 . . . . 10.0 110.164 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -116.99 131.01 9.22 Favored Glycine 0 N--CA 1.442 -0.944 0 C-N-CA 120.862 -0.685 . . . . 10.0 112.572 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -144.59 106.1 0.39 Allowed Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.874 -0.89 . . . . 10.0 110.874 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 p -124.91 126.5 71.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.327 0.584 . . . . 10.0 111.625 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.527 HG22 ' HB ' ' J' ' 40' ' ' VAL . 60.4 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 115.61 -0.723 . . . . 10.0 110.13 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 120.967 0.413 . . . . 10.0 109.956 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.727 HG21 ' HB2' ' I' ' 11' ' ' GLU . 43.3 t -125.03 122.92 64.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.947 -0.569 . . . . 10.0 109.637 179.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -85.42 121.78 28.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.833 0.349 . . . . 10.0 111.901 -178.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -120.91 91.62 3.57 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.268 -0.641 . . . . 10.0 109.268 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.539 ' O ' ' HA ' ' I' ' 15' ' ' GLN . 10.3 tt0 -110.73 126.86 55.01 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.086 0.47 . . . . 10.0 111.531 -178.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -131.41 124.25 29.89 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.06 -0.518 . . . . 10.0 111.471 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.541 ' HG ' ' HB2' ' K' ' 17' ' ' LEU . 8.8 mp -111.36 113.98 26.81 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.599 179.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.462 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 3.3 t -118.78 121.56 67.23 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.957 -0.565 . . . . 10.0 110.093 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -122.83 117.44 25.64 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.802 0.334 . . . . 10.0 111.595 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -104.41 121.9 44.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.53 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -130.72 117.74 19.87 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 179.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' I' ' 22' ' ' GLU . 42.9 mt-10 -89.12 158.57 17.89 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.326 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.471 ' OD2' ' HA ' ' J' ' 27' ' ' ASN . 9.2 m-20 -147.9 49.33 1.06 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.203 -0.665 . . . . 10.0 109.203 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.878 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 91.4 t -73.62 -28.26 24.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.816 0.341 . . . . 10.0 111.189 -179.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.42 -64.79 1.49 Allowed Glycine 0 N--CA 1.445 -0.707 0 C-N-CA 120.165 -1.017 . . . . 10.0 111.618 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.581 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 50.5 p -167.56 122.03 1.0 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.581 -0.526 . . . . 10.0 109.581 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.471 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 1.5 m120 -62.78 145.79 54.05 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.684 ' HA ' ' HD3' ' I' ' 28' ' ' LYS . 19.3 tptt -137.15 -83.54 0.34 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.709 179.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.751 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 155.39 91.98 0.09 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.2 -1.0 . . . . 10.0 112.556 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.766 ' HA ' ' HA2' ' K' ' 29' ' ' GLY . . . -77.94 148.77 34.34 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.701 HG13 ' HA ' ' B' ' 41' ' ' ILE . 0.3 OUTLIER -96.29 117.3 40.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.593 0.711 . . . . 10.0 109.892 179.327 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 33.1 mt -130.74 116.17 33.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.4 -0.818 . . . . 10.0 110.563 -178.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.412 ' HA3' ' CG2' ' B' ' 39' ' ' VAL . . . -106.14 120.33 6.32 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.71 -0.757 . . . . 10.0 111.422 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -114.29 90.04 3.24 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 110.038 -0.356 . . . . 10.0 110.038 -179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.51 ' HB2' ' HG3' ' K' ' 35' ' ' MET . 2.7 mpt? -120.67 85.3 2.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.467 0.651 . . . . 10.0 111.382 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.743 ' HB ' HG13 ' I' ' 36' ' ' VAL . 39.0 t -94.77 133.26 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.189 179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 0.428 ' HA2' ' HG2' ' B' ' 35' ' ' MET . . . -118.51 105.81 1.24 Allowed Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.785 -0.722 . . . . 10.0 113.146 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.3 107.28 2.36 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 110.713 -0.955 . . . . 10.0 110.713 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.459 ' O ' ' HA ' ' K' ' 39' ' ' VAL . 2.7 t -115.73 122.38 69.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.715 0.293 . . . . 10.0 110.854 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.527 ' HB ' HG22 ' I' ' 40' ' ' VAL . 48.0 t -131.13 130.0 63.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.645 ' HA ' HG13 ' B' ' 31' ' ' ILE . 0.5 OUTLIER -65.23 143.93 15.28 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 CA-C-O 120.941 0.4 . . . . 10.0 110.835 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . 0.466 ' H ' HD13 ' J' ' 41' ' ' ILE . . . . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.355 -0.384 . . . . 10.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.702 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.3 OUTLIER . . . . . 0 CA--C 1.519 -0.233 0 CA-C-O 121.391 0.615 . . . . 10.0 110.729 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' J' ' 12' ' ' VAL . 12.2 m -86.89 121.69 38.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.409 -0.814 . . . . 10.0 112.39 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 20.0 t60 -79.09 100.93 7.6 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.456 -0.942 . . . . 10.0 108.456 179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . 0.417 ' HB2' ' ND1' ' L' ' 14' ' ' HIS . 6.0 m170 -87.3 114.7 24.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.325 0.583 . . . . 10.0 111.612 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.403 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 4.4 tt0 -125.16 102.27 7.4 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.207 -0.906 . . . . 10.0 108.78 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -114.96 121.65 43.83 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.027 0.441 . . . . 10.0 112.077 -178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . 0.541 ' HB2' ' HG ' ' J' ' 17' ' ' LEU . 49.3 mt -120.05 111.8 18.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.116 -1.068 . . . . 10.0 108.116 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.584 HG13 HG13 ' L' ' 18' ' ' VAL . 6.7 p -133.95 131.54 56.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 112.709 0.633 . . . . 10.0 112.709 -178.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . 0.446 ' HZ ' HD21 ' L' ' 34' ' ' LEU . 12.0 m-85 -121.05 131.84 54.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.397 -0.819 . . . . 10.0 110.122 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -112.69 104.71 12.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.115 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.9 113.03 24.31 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.787 0.327 . . . . 10.0 110.178 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.598 ' HB2' ' HA ' ' L' ' 22' ' ' GLU . 50.5 mt-10 -97.31 161.59 13.73 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.937 -179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.603 ' HB2' HD21 ' L' ' 27' ' ' ASN . 4.5 t70 -158.26 116.1 2.97 Favored 'General case' 0 CA--C 1.507 -0.703 0 CA-C-N 116.232 -0.44 . . . . 10.0 111.327 179.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.453 ' HA ' ' HB ' ' J' ' 24' ' ' VAL . 10.5 m -133.16 13.7 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 N-CA-C 108.236 -1.024 . . . . 10.0 108.236 177.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . . . . . . . . . . . -123.6 -66.16 0.21 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.009 -0.996 . . . . 10.0 112.04 -178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 2.4 p -175.53 87.26 0.04 OUTLIER 'General case' 0 C--O 1.233 0.208 0 C-N-CA 122.362 0.265 . . . . 10.0 110.669 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . 0.404 ' HA ' ' CG ' ' L' ' 27' ' ' ASN . 57.3 t30 -51.76 142.62 14.54 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.236 0.541 . . . . 10.0 112.256 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.49 ' HD3' ' HA ' ' L' ' 28' ' ' LYS . 75.9 tttt -128.51 -112.53 0.27 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.724 -0.671 . . . . 10.0 110.779 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.766 ' HA2' ' HA ' ' J' ' 30' ' ' ALA . . . -156.8 101.87 0.21 Allowed Glycine 0 N--CA 1.444 -0.829 0 C-N-CA 119.879 -1.153 . . . . 10.0 113.482 -179.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.712 ' HA ' ' HA2' ' L' ' 29' ' ' GLY . . . -72.73 157.44 37.5 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.18 -0.674 . . . . 10.0 109.18 178.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.689 ' HA ' HG22 ' J' ' 31' ' ' ILE . 1.2 mt -116.13 85.49 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.785 -0.45 . . . . 10.0 109.785 -179.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.826 HG22 ' HB ' ' L' ' 32' ' ' ILE . 20.3 pt -114.85 137.9 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.192 0.52 . . . . 10.0 112.364 -178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -131.05 121.16 3.12 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.278 -0.729 . . . . 10.0 111.278 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . 0.503 ' HG ' HD23 ' L' ' 34' ' ' LEU . 6.5 mp -110.98 100.19 8.94 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.992 0.425 . . . . 10.0 110.428 -179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.51 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 3.6 mpp? -120.26 93.0 3.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.775 -0.648 . . . . 10.0 110.923 -179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.724 HG13 ' HB ' ' L' ' 36' ' ' VAL . 38.8 t -101.57 118.94 49.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.638 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . . . . . . . . . . . -115.11 126.13 7.05 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.833 -0.699 . . . . 10.0 112.622 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.45 129.14 4.41 Favored Glycine 0 N--CA 1.445 -0.758 0 N-CA-C 111.564 -0.615 . . . . 10.0 111.564 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' C' ' 31' ' ' ILE . 7.2 p -128.4 122.79 58.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.479 0.657 . . . . 10.0 111.652 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 115.329 -0.85 . . . . 10.0 110.453 -179.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.34 0.114 . . . . 10.0 111.16 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.702 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 7.0 p -104.61 135.8 40.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.694 0.283 . . . . 10.0 111.255 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -92.99 132.27 37.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.023 0.439 . . . . 10.0 111.622 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . 0.417 ' ND1' ' HB2' ' K' ' 14' ' ' HIS . 95.6 m-70 -133.95 92.73 2.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.418 178.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 27.8 pt20 -116.08 137.03 52.48 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.334 0.587 . . . . 10.0 112.448 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . 0.425 ' HB3' ' HE2' ' L' ' 16' ' ' LYS . 36.4 ttpt -137.98 127.36 24.72 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.38 -0.827 . . . . 10.0 110.898 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . 0.441 ' HG ' ' HB2' ' M' ' 17' ' ' LEU . 8.2 mp -114.77 117.62 31.26 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.673 -0.694 . . . . 10.0 109.358 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.77 ' HB ' HG12 ' M' ' 18' ' ' VAL . 9.8 t -124.27 119.87 57.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.22 -0.446 . . . . 10.0 110.704 -179.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' L' ' 34' ' ' LEU . 34.9 m-85 -117.77 120.12 36.97 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.766 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -101.22 124.9 47.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.334 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.38 97.36 3.56 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . 0.598 ' HA ' ' HB2' ' K' ' 22' ' ' GLU . 1.9 pt-20 -104.4 96.59 6.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.276 0.56 . . . . 10.0 112.034 -179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 124.1 31.13 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.823 -1.08 . . . . 10.0 109.809 179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.44 ' HA ' ' CG2' ' K' ' 24' ' ' VAL . 85.8 t -119.96 -30.15 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.776 -179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . . . . . . . . . . . -85.71 -76.24 1.23 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.336 -0.935 . . . . 10.0 113.172 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . 0.491 ' C ' HD22 ' M' ' 27' ' ' ASN . 61.0 m -154.45 101.01 2.32 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.759 -0.46 . . . . 10.0 109.759 -179.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . 0.603 HD21 ' HB2' ' K' ' 23' ' ' ASP . 0.7 OUTLIER -52.79 148.87 6.84 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.007 0.817 . . . . 10.0 112.175 -178.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.964 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 20.0 tttm -137.31 -86.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.746 -0.661 . . . . 10.0 111.069 178.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . 0.712 ' HA2' ' HA ' ' K' ' 30' ' ' ALA . . . 164.13 113.67 0.29 Allowed Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.093 -1.051 . . . . 10.0 112.484 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.428 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -97.82 154.78 17.39 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.398 0.142 . . . . 10.0 110.896 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.755 HG13 HD13 ' D' ' 41' ' ' ILE . 6.1 mm -98.72 110.0 25.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.512 -0.551 . . . . 10.0 109.512 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.826 ' HB ' HG22 ' K' ' 32' ' ' ILE . 47.7 mt -128.62 109.12 18.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.121 -0.49 . . . . 10.0 110.15 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . 0.495 ' HA3' HG11 ' D' ' 39' ' ' VAL . . . -106.6 117.61 5.42 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.755 -0.736 . . . . 10.0 112.068 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . 0.522 HD11 ' CZ ' ' L' ' 19' ' ' PHE . 2.5 mm? -105.53 98.09 7.83 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.581 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 2.2 mpp? -115.39 98.71 6.9 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.348 0.594 . . . . 10.0 110.964 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.724 ' HB ' HG13 ' K' ' 36' ' ' VAL . 29.2 t -104.64 128.76 58.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.618 -0.719 . . . . 10.0 109.566 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.571 ' CA ' ' HG2' ' D' ' 35' ' ' MET . . . -127.43 121.63 3.92 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.643 -0.789 . . . . 10.0 112.288 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.52 127.72 4.05 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.35 -0.929 . . . . 10.0 112.745 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.538 ' CG2' HG23 ' M' ' 39' ' ' VAL . 2.9 m -128.38 142.44 43.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 110.22 -0.289 . . . . 10.0 110.22 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . . . . . . . . . 12.4 p -151.73 143.96 16.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-O 120.878 0.371 . . . . 10.0 111.367 -179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . 0.712 HD13 HG13 ' D' ' 31' ' ' ILE . 34.0 mm -67.38 128.95 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.517 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.255 179.635 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . 0.606 ' HA ' HG22 ' N' ' 12' ' ' VAL . 4.2 mp0 . . . . . 0 CA--C 1.52 -0.187 0 CA-C-O 121.767 0.794 . . . . 10.0 109.656 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . . . . . . . . . 29.5 m -75.28 124.14 32.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.911 -1.041 . . . . 10.0 112.006 -179.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -86.17 89.27 7.78 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.364 -0.976 . . . . 10.0 108.364 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -86.02 113.42 22.09 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.871 -0.604 . . . . 10.0 111.618 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 16.2 tt0 -126.48 122.4 35.12 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.728 -0.669 . . . . 10.0 109.204 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -135.71 128.88 31.76 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 120.865 0.364 . . . . 10.0 111.505 -179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' HG ' ' L' ' 17' ' ' LEU . 25.2 mt -122.3 110.68 15.99 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.31 -0.996 . . . . 10.0 108.31 179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.77 HG12 ' HB ' ' L' ' 18' ' ' VAL . 2.1 m -124.07 128.34 73.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 112.589 0.588 . . . . 10.0 112.589 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -122.56 124.97 44.74 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.447 -0.797 . . . . 10.0 109.686 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -106.93 105.52 15.59 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.217 -0.447 . . . . 10.0 111.215 -179.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.29 111.57 22.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.903 0.382 . . . . 10.0 109.97 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . 0.588 ' HA ' ' HG3' ' L' ' 22' ' ' GLU . 34.8 mt-10 -112.36 138.61 48.83 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.988 -179.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.83 143.15 49.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.853 0.359 . . . . 10.0 110.475 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.415 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.6 t -142.39 13.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.2 178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.4 ' HA3' ' O ' ' N' ' 25' ' ' GLY . . . -141.6 -64.13 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.036 -1.078 . . . . 10.0 114.59 -177.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.83 122.26 3.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 117.246 0.523 . . . . 10.0 110.331 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . 0.491 HD22 ' C ' ' L' ' 26' ' ' SER . 4.9 m-80 -85.64 147.9 26.16 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.073 0.464 . . . . 10.0 111.533 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.964 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 13.3 mttm -130.92 -96.02 0.36 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.761 -0.654 . . . . 10.0 110.177 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . 0.428 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . 171.94 113.25 0.3 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.707 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.489 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -84.11 165.12 18.75 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.052 -0.351 . . . . 10.0 110.052 179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.695 HG12 HD11 ' D' ' 41' ' ' ILE . 0.6 OUTLIER -116.05 92.98 2.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.199 -0.667 . . . . 10.0 109.199 179.587 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.411 HG23 ' HB ' ' N' ' 32' ' ' ILE . 9.1 mt -113.78 125.22 71.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.942 0.401 . . . . 10.0 111.187 -178.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.73 110.09 1.33 Allowed Glycine 0 N--CA 1.443 -0.838 0 C-N-CA 120.974 -0.632 . . . . 10.0 111.561 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.697 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.1 mp -101.87 105.13 15.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.838 0.351 . . . . 10.0 110.208 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.667 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.2 mmt -117.45 95.67 5.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.667 -0.697 . . . . 10.0 109.905 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.63 HG12 ' HB ' ' N' ' 36' ' ' VAL . 1.8 m -111.83 124.51 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.264 -0.426 . . . . 10.0 110.591 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . 0.759 ' HA3' ' HG3' ' E' ' 35' ' ' MET . . . -131.62 133.19 7.07 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.217 -0.992 . . . . 10.0 113.194 -178.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.49 123.19 3.3 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.931 -0.652 . . . . 10.0 111.983 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.538 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.5 p -111.86 111.62 36.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.262 0.553 . . . . 10.0 110.522 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.451 HG12 ' HB2' ' N' ' 42' ' ' ALA . 20.5 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.99 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.121 0.486 . . . . 10.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.919 ' HB ' HG12 ' O' ' 12' ' ' VAL . 4.0 t -108.89 92.97 2.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 109.148 -0.686 . . . . 10.0 109.148 179.583 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -77.45 125.01 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.908 0.385 . . . . 10.0 111.865 -178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -121.92 97.47 5.5 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.932 -0.577 . . . . 10.0 109.816 179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . 0.402 ' O ' ' HA ' ' M' ' 15' ' ' GLN . 17.3 tt0 -108.99 119.4 39.44 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.128 -0.487 . . . . 10.0 110.799 -179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . 0.591 ' HG3' ' HG2' ' O' ' 16' ' ' LYS . 16.9 ptmt -135.4 121.75 20.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.43 0.633 . . . . 10.0 112.153 -179.266 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' O' ' 17' ' ' LEU . 7.7 mp -113.41 120.6 41.61 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.437 -0.801 . . . . 10.0 109.445 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.933 ' HB ' HG12 ' O' ' 18' ' ' VAL . 10.7 t -122.21 116.66 49.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.096 -0.502 . . . . 10.0 110.335 -179.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 26.3 m-85 -116.87 127.01 53.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.638 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -109.21 127.56 54.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.933 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.14 89.19 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.383 -0.599 . . . . 10.0 109.383 178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -107.31 104.46 14.07 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.163 -179.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . 0.575 ' HB2' ' ND2' ' N' ' 27' ' ' ASN . 32.1 m-20 -108.25 111.84 24.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.187 0.517 . . . . 10.0 110.273 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.573 HG22 ' HA ' ' O' ' 24' ' ' VAL . 19.8 m -100.1 11.83 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.396 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HA3' ' M' ' 25' ' ' GLY . . . -120.22 -89.52 1.14 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.577 -0.82 . . . . 10.0 112.231 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.05 97.78 3.59 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.575 ' ND2' ' HB2' ' N' ' 23' ' ' ASP . 1.3 m120 -62.58 140.56 58.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.356 -0.384 . . . . 10.0 111.446 -178.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.596 ' HA ' ' HD2' ' M' ' 28' ' ' LYS . 0.1 OUTLIER -125.18 -72.95 0.65 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.946 -0.761 . . . . 10.0 108.946 178.384 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 140.04 118.43 1.53 Allowed Glycine 0 N--CA 1.441 -1.018 0 C-N-CA 119.907 -1.139 . . . . 10.0 113.682 179.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.474 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -94.01 165.96 12.39 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.134 -0.691 . . . . 10.0 109.134 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.592 HG12 HG13 ' F' ' 39' ' ' VAL . 11.9 tt -110.59 117.98 56.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.563 0.697 . . . . 10.0 110.726 178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.45 HG12 HD12 ' O' ' 32' ' ' ILE . 15.9 mt -122.05 117.35 52.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.198 -0.91 . . . . 10.0 110.817 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . 0.478 ' HA3' HG22 ' F' ' 39' ' ' VAL . . . -108.62 109.33 2.82 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.113 -0.795 . . . . 10.0 111.113 179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.697 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.0 mm? -100.74 101.07 11.84 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 110.088 -0.338 . . . . 10.0 110.088 -179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.908 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 3.4 mpp? -116.35 97.33 5.98 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.031 0.443 . . . . 10.0 110.839 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . 0.63 ' HB ' HG12 ' M' ' 36' ' ' VAL . 39.7 t -116.36 130.03 71.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.734 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.915 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -141.04 144.72 14.99 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.506 -0.854 . . . . 10.0 113.139 -179.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.61 142.04 12.9 Favored Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 120.908 -0.663 . . . . 10.0 112.124 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.566 HG13 HG12 ' F' ' 31' ' ' ILE . 32.6 t -126.37 123.45 63.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.421 HG13 ' HA ' ' M' ' 40' ' ' VAL . 3.1 p -143.07 124.87 12.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . . . . . . . . . 2.8 pt -70.58 108.4 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.347 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . 0.451 ' HB2' HG12 ' M' ' 40' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.52 0 CA-C-N 116.187 -0.46 . . . . 10.0 110.733 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . 0.441 ' HB3' HG13 ' P' ' 12' ' ' VAL . 15.3 mt-10 . . . . . 0 CA--C 1.529 0.165 0 CA-C-O 120.969 0.414 . . . . 10.0 111.415 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . 0.919 HG12 ' HB ' ' N' ' 12' ' ' VAL . 19.4 m -111.05 127.69 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 113.479 0.918 . . . . 10.0 113.479 -178.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -94.53 101.38 13.27 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.503 -1.295 . . . . 10.0 107.503 177.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m170 -89.4 120.58 30.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.28 0.474 . . . . 10.0 112.28 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 2.9 tp60 -120.67 94.3 4.32 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.448 -0.945 . . . . 10.0 108.448 178.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . 0.591 ' HG2' ' HG3' ' N' ' 16' ' ' LYS . 1.1 tmmm? -110.96 115.58 29.73 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.125 -0.489 . . . . 10.0 111.219 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . 0.836 HD13 HD21 ' O' ' 34' ' ' LEU . 4.7 mt -121.6 119.05 30.77 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.56 -0.533 . . . . 10.0 109.56 179.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.933 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.3 m -130.71 132.21 64.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.85 0.685 . . . . 10.0 112.85 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . 0.531 ' HE2' HG21 ' P' ' 32' ' ' ILE . 30.8 m-85 -125.78 124.44 40.99 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.143 -0.935 . . . . 10.0 108.886 178.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -110.72 110.73 21.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.194 0.442 . . . . 10.0 112.194 -178.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 119.38 36.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' P' ' 22' ' ' GLU . 32.5 mt-10 -124.38 129.44 50.71 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.441 -0.345 . . . . 10.0 110.894 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -121.03 127.19 51.5 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.839 0.352 . . . . 10.0 110.662 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.573 ' HA ' HG22 ' N' ' 24' ' ' VAL . 5.9 t -118.86 10.6 6.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.296 0.57 . . . . 10.0 109.719 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . . . . . . . . . . . -136.44 -71.37 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.129 -1.034 . . . . 10.0 112.99 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.9 m -158.36 109.67 2.19 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 110.219 -0.289 . . . . 10.0 110.219 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.689 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 21.4 t-20 -66.68 149.34 50.66 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.392 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.508 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 63.5 tttp -126.43 -78.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.145 -0.48 . . . . 10.0 109.969 178.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.474 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 158.34 106.32 0.23 Allowed Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 119.673 -1.251 . . . . 10.0 113.544 179.182 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.88 162.48 19.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.139 -0.319 . . . . 10.0 110.139 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 38.2 mt -107.95 96.85 4.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 109.553 -0.536 . . . . 10.0 109.553 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . 0.45 HD12 HG12 ' N' ' 32' ' ' ILE . 64.0 mt -105.08 114.49 44.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.626 -179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . . . . . . . . . . . -120.54 104.35 0.98 Allowed Glycine 0 N--CA 1.445 -0.759 0 N-CA-C 111.305 -0.718 . . . . 10.0 111.305 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . 0.836 HD21 HD13 ' O' ' 17' ' ' LEU . 39.4 tp -107.48 113.1 26.22 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.952 -0.388 . . . . 10.0 109.952 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.496 ' HG3' ' HG3' ' P' ' 35' ' ' MET . 1.3 ptp -128.69 108.19 10.29 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.281 0.562 . . . . 10.0 110.998 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 42.4 t -120.98 123.58 70.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.622 -0.717 . . . . 10.0 110.237 -179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . 0.995 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -141.17 132.68 5.46 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.637 -0.792 . . . . 10.0 111.833 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.27 147.76 19.32 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.425 -0.893 . . . . 10.0 112.746 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.464 HG12 ' HB ' ' N' ' 39' ' ' VAL . 26.5 m -118.52 142.02 35.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.761 0.315 . . . . 10.0 110.497 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.324 -0.503 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.821 -179.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.703 0.287 . . . . 10.0 110.64 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . 0.549 HG21 ' N ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -67.04 140.05 20.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 109.624 -0.509 . . . . 10.0 109.624 178.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -68.54 131.23 44.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.722 0.638 . . . . 10.0 112.722 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -115.15 105.56 13.06 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -104.58 122.19 45.07 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.088 0.471 . . . . 10.0 110.849 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 tttm -134.36 112.52 11.06 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.951 -0.568 . . . . 10.0 110.565 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . 0.711 ' HB2' HD23 ' O' ' 17' ' ' LEU . 6.9 mp -118.79 122.83 43.31 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.176 -0.465 . . . . 10.0 110.642 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 17.4 t -124.08 124.1 68.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.292 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -128.18 131.74 48.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.857 0.36 . . . . 10.0 111.127 179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -110.72 129.79 55.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.024 -0.535 . . . . 10.0 111.405 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.72 78.11 1.62 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.258 -0.645 . . . . 10.0 109.258 179.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . 0.434 ' HB3' ' HB2' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -109.91 158.35 18.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.844 -0.617 . . . . 10.0 111.766 -178.574 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -149.5 151.0 33.19 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.801 -0.636 . . . . 10.0 110.833 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.535 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 0.1 OUTLIER -127.59 29.79 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 CA-C-N 116.176 -0.466 . . . . 10.0 111.524 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.25 -60.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.519 -0.848 . . . . 10.0 112.805 -179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 70.8 m -151.23 94.04 1.99 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.689 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 0.2 OUTLIER -60.9 123.27 17.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.14 -0.482 . . . . 10.0 109.783 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . 0.519 ' N ' HD22 ' P' ' 27' ' ' ASN . 36.4 tttp -101.08 -83.22 0.45 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.648 -178.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 129.31 112.02 1.56 Allowed Glycine 0 N--CA 1.441 -0.986 0 C-N-CA 120.951 -0.642 . . . . 10.0 111.575 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.41 179.97 4.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.844 0.354 . . . . 10.0 111.165 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 pt -98.26 113.02 31.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.801 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . 0.531 HG21 ' HE2' ' O' ' 19' ' ' PHE . 41.6 mt -117.46 102.19 13.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 116.058 -0.519 . . . . 10.0 109.996 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 120.56 5.02 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.662 -0.78 . . . . 10.0 112.079 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -120.45 107.55 13.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.032 0.444 . . . . 10.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.981 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 1.9 mpt? -108.05 98.93 8.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.608 -0.724 . . . . 10.0 110.066 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 30.7 t -108.63 126.93 65.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.349 -0.387 . . . . 10.0 110.366 -179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . 0.591 ' HA3' ' HG2' ' H' ' 35' ' ' MET . . . -135.26 154.24 21.55 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.826 -0.702 . . . . 10.0 112.118 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -150.86 139.01 6.95 Favored Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.164 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 m -127.42 138.54 54.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 110.494 -0.187 . . . . 10.0 110.494 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 p -175.8 166.69 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 110.121 -0.325 . . . . 10.0 110.121 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 14.5 pt -95.79 -178.75 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 N-CA-C 109.894 -0.41 . . . . 10.0 109.894 178.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.128 -0.939 . . . . 10.0 110.388 -179.683 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.472 ' HB3' HG13 ' B' ' 12' ' ' VAL . 6.9 mm-40 . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 121.031 0.444 . . . . 10.0 110.77 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG12 ' H ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -99.25 174.0 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 -177.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.467 ' H ' HG12 ' A' ' 12' ' ' VAL . 3.0 t-160 -102.71 114.87 29.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 114.273 -1.33 . . . . 10.0 108.568 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -94.08 87.09 5.19 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.236 -0.438 . . . . 10.0 110.81 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.0 tp60 -103.13 117.46 34.59 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.982 -0.554 . . . . 10.0 109.725 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -138.59 131.03 28.82 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.972 0.415 . . . . 10.0 111.67 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mp -122.84 109.96 14.84 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 m -119.75 123.73 71.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.313 0.578 . . . . 10.0 112.457 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -114.55 117.95 32.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.441 -0.8 . . . . 10.0 109.6 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -111.25 107.33 16.6 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.801 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.441 ' HA ' ' O ' ' B' ' 21' ' ' ALA . . . -108.21 128.95 55.16 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.539 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.883 ' HB2' ' HA ' ' B' ' 22' ' ' GLU . 3.1 mm-40 -75.99 173.51 11.15 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.384 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -152.9 84.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.802 0.334 . . . . 10.0 111.47 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.867 ' HB ' ' HA ' ' B' ' 24' ' ' VAL . 44.5 t -122.89 -37.71 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 120.697 0.284 . . . . 10.0 111.011 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.561 ' HA3' ' HA ' ' B' ' 26' ' ' SER . . . -91.72 -155.63 31.95 Favored Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.682 -0.771 . . . . 10.0 112.163 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 p -70.28 128.12 35.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.383 -0.229 . . . . 10.0 110.383 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -58.88 151.53 21.45 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.655 0.613 . . . . 10.0 112.655 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' B' ' 28' ' ' LYS . 25.3 tptt -160.02 -144.04 0.11 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.422 -0.808 . . . . 10.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -162.22 128.65 1.92 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.331 -0.938 . . . . 10.0 113.138 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.65 ' HA ' ' HA2' ' B' ' 29' ' ' GLY . . . -83.35 157.27 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.588 0.233 . . . . 10.0 110.597 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.632 ' HB ' HD13 ' B' ' 31' ' ' ILE . 31.7 mm -106.55 90.93 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.655 HG22 ' HB ' ' B' ' 32' ' ' ILE . 19.5 pt -105.82 136.75 38.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.909 -0.587 . . . . 10.0 111.623 -179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.11 95.71 0.58 Allowed Glycine 0 N--CA 1.446 -0.698 0 N-CA-C 111.133 -0.787 . . . . 10.0 111.133 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 93.67 9.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.024 0.44 . . . . 10.0 110.822 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.494 ' HB2' ' HG3' ' B' ' 35' ' ' MET . 1.9 mpt? -124.29 77.93 1.61 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.173 0.511 . . . . 10.0 111.335 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.47 119.85 41.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.855 -0.611 . . . . 10.0 109.667 179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -113.7 107.69 1.95 Allowed Glycine 0 N--CA 1.442 -0.922 0 C-N-CA 120.943 -0.646 . . . . 10.0 112.56 -179.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' B' ' 38' ' ' GLY . . . -135.86 116.32 1.47 Allowed Glycine 0 N--CA 1.443 -0.899 0 N-CA-C 111.354 -0.699 . . . . 10.0 111.354 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.3 p -143.36 137.78 25.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.116 0.484 . . . . 10.0 111.221 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.402 HG13 ' HB ' ' B' ' 40' ' ' VAL . 60.2 t . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.975 -0.557 . . . . 10.0 110.511 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 . . . . . 0 CA--C 1.528 0.12 0 CA-C-O 121.247 0.546 . . . . 10.0 110.222 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.66 ' HB ' HG12 ' C' ' 12' ' ' VAL . 0.2 OUTLIER -116.51 90.9 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 108.369 -0.974 . . . . 10.0 108.369 178.618 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -72.49 118.97 16.05 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 120.655 0.264 . . . . 10.0 111.032 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -117.56 89.23 3.07 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.916 -0.402 . . . . 10.0 109.916 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -114.53 112.77 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.146 0.498 . . . . 10.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -124.13 123.66 40.79 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.762 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -105.94 111.55 24.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.247 -0.888 . . . . 10.0 108.98 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' C' ' 18' ' ' VAL . 5.1 t -114.76 120.54 64.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 116.075 -0.511 . . . . 10.0 110.02 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -122.54 117.26 25.47 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 120.883 0.373 . . . . 10.0 111.384 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -104.06 118.95 37.89 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.865 -0.607 . . . . 10.0 109.948 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.441 ' O ' ' HA ' ' A' ' 21' ' ' ALA . . . -127.45 109.62 11.94 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.417 -0.586 . . . . 10.0 109.417 179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.883 ' HA ' ' HB2' ' A' ' 22' ' ' GLU . 73.9 mt-10 -90.67 152.54 20.81 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.615 -0.266 . . . . 10.0 110.919 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.68 ' OD1' ' HA ' ' B' ' 27' ' ' ASN . 13.5 m-20 -141.99 61.95 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.587 -0.523 . . . . 10.0 109.587 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.867 ' HA ' ' HB ' ' A' ' 24' ' ' VAL . 46.5 t -80.43 -20.83 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.071 0.462 . . . . 10.0 111.05 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -95.2 -61.91 1.02 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.37 -0.919 . . . . 10.0 111.783 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.561 ' HA ' ' HA3' ' A' ' 25' ' ' GLY . 77.9 p -165.35 120.39 1.3 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.677 -0.49 . . . . 10.0 109.677 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.68 ' HA ' ' OD1' ' B' ' 23' ' ' ASP . 0.6 OUTLIER -64.1 148.98 48.61 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.807 -0.442 . . . . 10.0 109.807 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.797 ' HD3' ' HA ' ' C' ' 28' ' ' LYS . 39.0 tttt -143.48 -99.19 0.12 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.874 -0.33 . . . . 10.0 111.812 178.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . 0.65 ' HA2' ' HA ' ' A' ' 30' ' ' ALA . . . 172.78 107.15 0.2 Allowed Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 119.664 -1.255 . . . . 10.0 113.092 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.447 ' HA ' ' CA ' ' C' ' 29' ' ' GLY . . . -89.95 156.7 18.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.637 0.256 . . . . 10.0 111.059 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.81 HG13 ' HA ' ' J' ' 41' ' ' ILE . 22.1 mm -99.37 100.53 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 108.441 -0.948 . . . . 10.0 108.441 179.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.655 ' HB ' HG22 ' A' ' 32' ' ' ILE . 28.1 mt -114.3 106.1 20.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.958 -0.564 . . . . 10.0 110.787 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.53 114.58 5.05 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.873 -0.679 . . . . 10.0 111.922 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -111.67 91.74 3.77 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.659 -0.497 . . . . 10.0 109.659 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.521 ' O ' ' HA ' ' C' ' 35' ' ' MET . 1.4 mpt? -121.67 90.41 3.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.378 0.609 . . . . 10.0 111.181 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.445 HG13 ' HB ' ' C' ' 36' ' ' VAL . 43.7 t -101.77 128.35 54.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.478 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.457 ' HA2' ' HG2' ' J' ' 35' ' ' MET . . . -119.48 118.86 4.08 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 121.024 -0.608 . . . . 10.0 112.02 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.473 ' HA2' ' O ' ' C' ' 38' ' ' GLY . . . -140.76 113.78 0.89 Allowed Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.925 -0.655 . . . . 10.0 112.255 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' C' ' 39' ' ' VAL . 35.2 m -124.37 139.25 51.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 121.077 0.465 . . . . 10.0 110.729 179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.402 ' HB ' HG13 ' A' ' 40' ' ' VAL . 46.3 t -125.51 136.83 59.63 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 116.004 -0.544 . . . . 10.0 110.153 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ILE . . . . . 0.781 ' HA ' HG13 ' J' ' 31' ' ' ILE . 18.1 tt -64.1 131.83 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.011 0.434 . . . . 10.0 111.129 179.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.613 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . 0.613 ' HG3' ' HB ' ' D' ' 12' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.234 0.289 0 CA-C-O 121.25 0.547 . . . . 10.0 111.319 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.66 HG12 ' HB ' ' B' ' 12' ' ' VAL . 10.9 m -98.26 120.57 47.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.543 -0.753 . . . . 10.0 112.688 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -87.32 96.79 10.48 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -86.15 110.29 19.47 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.157 0.503 . . . . 10.0 111.325 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -126.21 93.36 3.79 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.428 -0.805 . . . . 10.0 109.121 179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -105.37 120.6 41.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.842 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 43.7 mt -116.77 111.97 20.51 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.97 -1.122 . . . . 10.0 107.97 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.535 HG13 HG13 ' D' ' 18' ' ' VAL . 7.5 p -134.91 132.58 53.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 113.147 0.795 . . . . 10.0 113.147 -178.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -121.2 130.51 53.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.179 -0.919 . . . . 10.0 109.423 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -112.12 99.04 7.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.367 -0.379 . . . . 10.0 111.193 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.0 124.44 49.59 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 178.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' D' ' 23' ' ' ASP . 66.8 mt-10 -116.82 150.01 39.07 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.348 -0.387 . . . . 10.0 110.632 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . 0.448 ' HB2' HD21 ' D' ' 27' ' ' ASN . 3.0 t70 -142.83 125.61 16.03 Favored 'General case' 0 CA--C 1.51 -0.593 0 CA-C-N 116.587 -0.279 . . . . 10.0 111.035 179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.433 ' CG2' ' HA ' ' D' ' 24' ' ' VAL . 8.1 m -137.18 13.4 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.942 -0.762 . . . . 10.0 108.942 177.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . 0.409 ' HA3' ' O ' ' D' ' 25' ' ' GLY . . . -128.33 -68.65 0.13 Allowed Glycine 0 N--CA 1.449 -0.462 0 CA-C-N 115.575 -0.738 . . . . 10.0 112.295 -178.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.0 p -169.87 87.22 0.14 Allowed 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 110.034 -0.358 . . . . 10.0 110.034 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -53.87 145.94 15.12 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 113.352 0.871 . . . . 10.0 113.352 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.797 ' HA ' ' HD3' ' B' ' 28' ' ' LYS . 63.4 tttt -129.79 -100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.299 -0.864 . . . . 10.0 110.712 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . 0.447 ' CA ' ' HA ' ' B' ' 30' ' ' ALA . . . -175.68 111.57 0.36 Allowed Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 119.89 -1.148 . . . . 10.0 113.424 -179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.521 ' HA ' ' CA ' ' D' ' 29' ' ' GLY . . . -82.94 149.39 27.06 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.868 -0.419 . . . . 10.0 109.868 179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.421 HD12 ' HB ' ' D' ' 31' ' ' ILE . 0.3 OUTLIER -102.28 91.83 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 N-CA-C 109.354 -0.61 . . . . 10.0 109.354 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.655 HG22 HG13 ' D' ' 32' ' ' ILE . 27.4 pt -112.77 129.89 67.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.372 0.606 . . . . 10.0 112.03 -178.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.17 113.0 2.03 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.581 -0.736 . . . . 10.0 111.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 6.2 mp -108.04 104.21 13.6 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.521 ' HA ' ' O ' ' B' ' 35' ' ' MET . 2.5 mpt? -126.35 97.56 5.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.25 0.548 . . . . 10.0 111.049 -179.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.462 HG13 ' HB ' ' D' ' 36' ' ' VAL . 25.5 t -102.55 123.29 55.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.853 -0.612 . . . . 10.0 109.564 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.418 ' O ' ' HA2' ' D' ' 37' ' ' GLY . . . -117.25 114.85 3.08 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.892 -0.671 . . . . 10.0 112.432 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . 0.473 ' O ' ' HA2' ' B' ' 38' ' ' GLY . . . -130.51 122.22 3.53 Favored Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.893 -0.67 . . . . 10.0 111.776 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.519 HG23 HG23 ' B' ' 39' ' ' VAL . 4.2 p -123.43 120.77 61.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-O 121.487 0.66 . . . . 10.0 110.806 179.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 44.5 t . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.469 -0.787 . . . . 10.0 110.934 -179.135 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . 0.404 ' HB3' ' H ' ' D' ' 12' ' ' VAL . 3.1 tp10 . . . . . 0 N--CA 1.456 -0.168 0 N-CA-C 110.775 -0.083 . . . . 10.0 110.775 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.613 ' HB ' ' HG3' ' C' ' 11' ' ' GLU . 11.6 p -106.06 132.69 52.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-O 121.196 0.522 . . . . 10.0 111.419 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -61.24 132.33 53.3 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 113.61 0.967 . . . . 10.0 113.61 -177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -130.68 99.15 4.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.325 -0.852 . . . . 10.0 109.783 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' E' ' 15' ' ' GLN . 9.7 pt20 -122.33 136.94 54.99 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.856 0.687 . . . . 10.0 112.856 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -130.0 118.59 21.83 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.099 -0.955 . . . . 10.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -109.32 113.66 26.67 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.314 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.771 ' HB ' HG12 ' E' ' 18' ' ' VAL . 11.5 t -124.34 121.59 62.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.163 -0.471 . . . . 10.0 111.343 -178.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -117.83 122.96 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.464 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.449 ' HB2' ' HA ' ' E' ' 20' ' ' PHE . 98.6 m-85 -101.6 124.76 47.79 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.041 -0.527 . . . . 10.0 110.906 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.51 97.1 4.14 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.465 -0.569 . . . . 10.0 109.465 179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -101.37 100.73 11.25 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.282 -179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' C' ' 22' ' ' GLU . 0.8 OUTLIER -93.02 116.92 29.5 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 116.269 -0.423 . . . . 10.0 109.95 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' E' ' 24' ' ' VAL . 64.9 t -111.68 -30.49 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.896 0.379 . . . . 10.0 110.872 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . 0.409 ' O ' ' HA3' ' C' ' 25' ' ' GLY . . . -91.09 -123.67 2.88 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.443 -0.884 . . . . 10.0 111.928 179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -99.72 98.5 9.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.394 -0.595 . . . . 10.0 109.394 179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.448 HD21 ' HB2' ' C' ' 23' ' ' ASP . 0.7 OUTLIER -51.06 145.98 6.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.969 -0.559 . . . . 10.0 112.003 -179.091 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.83 ' HD3' ' HA ' ' E' ' 28' ' ' LYS . 42.4 tttm -135.0 -88.63 0.35 Allowed 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.568 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . 0.521 ' CA ' ' HA ' ' C' ' 30' ' ' ALA . . . 155.47 121.87 0.76 Allowed Glycine 0 N--CA 1.443 -0.841 0 C-N-CA 120.27 -0.967 . . . . 10.0 112.636 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.572 ' HA ' ' HA2' ' E' ' 29' ' ' GLY . . . -92.67 159.88 15.24 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.442 HD11 HG13 ' K' ' 39' ' ' VAL . 3.2 tp -111.13 98.95 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-O 121.702 0.763 . . . . 10.0 109.893 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.913 HG22 ' HB ' ' E' ' 32' ' ' ILE . 1.3 pt -123.5 130.54 74.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.359 -0.837 . . . . 10.0 111.367 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.28 128.98 7.98 Favored Glycine 0 N--CA 1.443 -0.863 0 CA-C-N 115.467 -0.788 . . . . 10.0 112.188 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -111.32 95.63 5.63 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.247 -0.649 . . . . 10.0 109.247 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.508 ' O ' ' HA ' ' E' ' 35' ' ' MET . 2.2 mpt? -115.63 99.26 7.21 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.422 0.629 . . . . 10.0 111.262 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.462 ' HB ' HG13 ' C' ' 36' ' ' VAL . 40.3 t -107.83 128.48 63.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.567 -0.742 . . . . 10.0 109.239 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' C' ' 37' ' ' GLY . . . -129.62 133.11 7.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 120.638 -0.791 . . . . 10.0 112.472 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.08 136.42 5.97 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.484 -0.865 . . . . 10.0 112.659 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.558 ' CG2' HG23 ' E' ' 39' ' ' VAL . 2.2 m -129.36 152.45 37.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 109.273 -0.64 . . . . 10.0 109.273 179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.519 HG23 ' HB ' ' E' ' 40' ' ' VAL . 8.3 p -156.36 153.88 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.842 0.353 . . . . 10.0 111.656 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ILE . . . . . 0.56 HD11 HG12 ' M' ' 31' ' ' ILE . 18.3 mm -74.0 130.67 35.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.812 -0.631 . . . . 10.0 109.6 178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.84 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . 0.94 ' HA ' HG22 ' F' ' 12' ' ' VAL . 6.1 mp0 . . . . . 0 CA--C 1.521 -0.164 0 CA-C-O 121.704 0.764 . . . . 10.0 109.897 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 10.7 m -73.38 130.55 35.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 114.876 -1.057 . . . . 10.0 111.725 -179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -75.43 108.75 8.44 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.94 -0.763 . . . . 10.0 108.94 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -97.64 112.97 24.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.035 0.445 . . . . 10.0 111.233 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.411 ' HB3' ' HB3' ' D' ' 15' ' ' GLN . 2.1 tt0 -118.07 115.08 24.11 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.55 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -122.3 120.81 35.18 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.259 -178.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 41.9 mt -120.64 108.97 14.66 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.047 -0.723 . . . . 10.0 109.047 179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.771 HG12 ' HB ' ' D' ' 18' ' ' VAL . 2.0 m -125.08 126.55 71.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.275 0.559 . . . . 10.0 112.508 -178.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.402 ' CE2' HG21 ' E' ' 32' ' ' ILE . 24.3 m-85 -121.04 122.89 41.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.462 -0.79 . . . . 10.0 109.602 179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.449 ' HA ' ' HB2' ' D' ' 20' ' ' PHE . 55.5 m-85 -105.58 99.56 9.16 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.246 -0.434 . . . . 10.0 111.071 -178.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.96 105.99 14.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.015 0.436 . . . . 10.0 110.007 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -119.15 135.72 54.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.132 0.491 . . . . 10.0 111.935 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.95 149.11 43.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.298 -0.864 . . . . 10.0 110.194 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.591 ' HA ' ' HB ' ' D' ' 24' ' ' VAL . 0.6 OUTLIER -140.71 19.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.16 178.636 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -150.84 -53.49 0.01 OUTLIER Glycine 0 C--N 1.333 0.415 0 C-N-CA 119.664 -1.255 . . . . 10.0 114.419 -178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 1.4 p -163.74 118.57 1.58 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.05 0.425 . . . . 10.0 110.581 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -79.31 156.16 28.16 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.3 0.571 . . . . 10.0 112.065 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.83 ' HA ' ' HD3' ' D' ' 28' ' ' LYS . 4.7 tttt -141.96 -117.64 0.11 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.365 -0.834 . . . . 10.0 110.22 179.254 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.572 ' HA2' ' HA ' ' D' ' 30' ' ' ALA . . . -165.69 109.92 0.38 Allowed Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.135 -1.031 . . . . 10.0 113.384 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.488 ' HA ' ' HA3' ' F' ' 29' ' ' GLY . . . -82.51 153.38 25.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.671 -0.492 . . . . 10.0 109.671 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.648 HG12 HD11 ' L' ' 41' ' ' ILE . 0.6 OUTLIER -111.12 95.79 4.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.323 -0.621 . . . . 10.0 109.323 -179.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.913 ' HB ' HG22 ' D' ' 32' ' ' ILE . 25.2 mt -124.2 125.67 70.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 C-N-CA 120.585 -0.446 . . . . 10.0 111.424 -179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.24 119.21 4.03 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.558 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.64 ' HG ' HD23 ' F' ' 34' ' ' LEU . 6.1 mp -109.46 106.55 16.35 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.961 -0.385 . . . . 10.0 109.961 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.508 ' HA ' ' O ' ' D' ' 35' ' ' MET . 2.3 mpt? -121.59 100.13 6.84 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.783 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 39.1 t -108.07 116.76 52.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.769 -0.651 . . . . 10.0 109.591 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.849 ' HA3' ' HG3' ' M' ' 35' ' ' MET . . . -121.95 124.25 5.7 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.596 -0.811 . . . . 10.0 112.96 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.47 129.04 6.31 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.879 -0.677 . . . . 10.0 112.068 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.558 HG23 ' CG2' ' D' ' 39' ' ' VAL . 7.4 p -117.73 115.0 47.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 121.098 0.475 . . . . 10.0 110.631 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.519 ' HB ' HG23 ' D' ' 40' ' ' VAL . 25.7 t . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.079 -0.51 . . . . 10.0 111.115 -179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.075 0.464 . . . . 10.0 110.091 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.991 ' HB ' HG12 ' G' ' 12' ' ' VAL . 5.0 t -118.54 114.56 45.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.326 -0.852 . . . . 10.0 109.345 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -87.69 127.96 35.3 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.051 0.453 . . . . 10.0 111.606 -178.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 65.2 m-70 -123.77 105.18 9.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.753 -0.658 . . . . 10.0 109.377 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.472 ' HG3' ' HB3' ' G' ' 15' ' ' GLN . 2.3 tt0 -110.99 119.25 38.43 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.901 0.382 . . . . 10.0 110.859 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 18.6 ptmt -130.38 114.76 15.98 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.353 0.597 . . . . 10.0 111.751 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 7.7 mp -110.44 118.68 36.93 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.571 179.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.828 ' HB ' HG12 ' G' ' 18' ' ' VAL . 13.4 t -123.84 115.06 43.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.727 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -115.7 126.68 54.41 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.661 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -105.52 129.29 53.83 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.733 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.53 86.1 2.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.917 -0.583 . . . . 10.0 109.438 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' GLU . . . . . 0.455 ' HG3' ' HB3' ' G' ' 22' ' ' GLU . 5.4 pt-20 -109.48 110.99 22.25 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.582 -0.735 . . . . 10.0 111.152 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' F' ' 27' ' ' ASN . 44.4 m-20 -114.42 119.22 36.14 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.055 0.455 . . . . 10.0 110.346 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' G' ' 24' ' ' VAL . 32.8 m -100.79 10.34 7.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.98 -0.555 . . . . 10.0 111.387 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -117.8 -82.09 0.84 Allowed Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.582 -0.818 . . . . 10.0 111.746 179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 p -150.18 100.26 2.89 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.592 -0.522 . . . . 10.0 109.592 179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' E' ' 28' ' ' LYS . 1.2 m120 -61.76 142.36 57.32 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.784 -179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.654 ' HA ' ' HD3' ' E' ' 28' ' ' LYS . 0.0 OUTLIER -123.59 -62.07 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.863 -0.792 . . . . 10.0 108.863 178.592 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.488 ' HA3' ' HA ' ' E' ' 30' ' ' ALA . . . 131.29 118.61 2.01 Favored Glycine 0 N--CA 1.442 -0.957 0 C-N-CA 120.114 -1.041 . . . . 10.0 113.752 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.528 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . . . -93.89 166.08 12.35 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.752 -0.833 . . . . 10.0 108.752 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.599 HG12 HG13 ' N' ' 39' ' ' VAL . 14.7 tt -111.45 113.36 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.515 0 CA-C-O 121.759 0.79 . . . . 10.0 111.342 179.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.559 ' HB ' HG23 ' E' ' 32' ' ' ILE . 18.1 mt -120.11 125.0 73.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.142 -0.935 . . . . 10.0 110.738 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.5 113.21 2.95 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.64 HD23 ' HG ' ' E' ' 34' ' ' LEU . 2.3 mm? -105.11 98.55 8.24 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.741 -0.466 . . . . 10.0 109.741 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.5 ' HG2' ' HA3' ' N' ' 37' ' ' GLY . 1.8 mpt? -116.04 99.49 7.29 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.205 0.526 . . . . 10.0 110.974 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 36.2 t -107.09 132.67 53.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.022 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.53 ' HA3' ' HG2' ' N' ' 35' ' ' MET . . . -133.62 138.28 9.98 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.817 -0.706 . . . . 10.0 112.576 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.88 134.0 6.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.871 -0.68 . . . . 10.0 112.298 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.644 HG13 HG12 ' N' ' 31' ' ' ILE . 47.8 t -125.8 127.09 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 109.16 -0.681 . . . . 10.0 109.16 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' G' ' 40' ' ' VAL . 4.7 p -150.27 129.38 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 41' ' ' ILE . . . . . 0.593 HD11 ' HB3' ' H' ' 42' ' ' ALA . 8.7 pt -76.41 139.22 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 10.0 110.921 179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.416 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 . . . . . 0 C--O 1.233 0.207 0 CA-C-O 121.096 0.474 . . . . 10.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.991 HG12 ' HB ' ' F' ' 12' ' ' VAL . 8.1 m -130.02 134.18 63.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 10.0 112.127 -178.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . 0.406 ' CE1' ' HB3' ' H' ' 13' ' ' HIS . 5.2 t60 -94.05 102.3 14.36 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.031 -1.1 . . . . 10.0 108.031 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -92.36 120.46 32.9 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.069 -0.514 . . . . 10.0 111.59 -179.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.472 ' HB3' ' HG3' ' F' ' 15' ' ' GLN . 0.0 OUTLIER -117.24 99.94 7.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.867 -0.79 . . . . 10.0 108.867 178.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 3.1 tmmm? -111.62 111.41 22.39 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.844 0.354 . . . . 10.0 111.211 -178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 27.6 mt -114.8 117.65 31.34 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.116 -0.698 . . . . 10.0 109.116 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.828 HG12 ' HB ' ' F' ' 18' ' ' VAL . 2.7 m -130.53 130.29 64.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.768 0.655 . . . . 10.0 112.768 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -125.44 122.29 36.25 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.234 -0.894 . . . . 10.0 109.293 179.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -104.74 105.84 16.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.295 -0.411 . . . . 10.0 111.598 -178.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.21 117.95 30.98 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.526 -0.307 . . . . 10.0 110.177 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' F' ' 22' ' ' GLU . 3.5 pt-20 -134.57 133.3 40.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.274 -0.421 . . . . 10.0 111.386 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . 0.536 ' HB2' ' HB2' ' H' ' 27' ' ' ASN . 4.3 t70 -118.87 138.41 52.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.868 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.537 ' HA ' HG22 ' F' ' 24' ' ' VAL . 10.5 t -117.25 1.18 8.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.286 0.565 . . . . 10.0 110.22 179.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . 0.55 ' HA3' ' O ' ' H' ' 25' ' ' GLY . . . -126.54 -73.28 0.19 Allowed Glycine 0 N--CA 1.447 -0.628 0 C-N-CA 120.378 -0.915 . . . . 10.0 113.141 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 47.5 m -157.3 110.73 2.56 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.134 -0.321 . . . . 10.0 110.134 -179.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.861 ' HA ' ' HB3' ' H' ' 27' ' ' ASN . 22.3 t-20 -63.49 148.94 47.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.326 -0.397 . . . . 10.0 111.027 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.462 ' O ' ' HB3' ' F' ' 28' ' ' LYS . 14.8 tttp -124.82 -80.27 0.62 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.716 178.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.528 ' HA2' ' HA ' ' F' ' 30' ' ' ALA . . . 161.69 114.33 0.33 Allowed Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.256 -0.973 . . . . 10.0 112.851 179.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.35 160.9 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 122.096 0.158 . . . . 10.0 110.641 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 38.0 mt -107.32 97.39 5.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 108.772 -0.825 . . . . 10.0 108.772 178.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 38.0 mt -112.15 114.84 48.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.427 -179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.69 125.75 6.24 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.689 -0.767 . . . . 10.0 112.058 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.45 ' HG ' ' HB2' ' H' ' 34' ' ' LEU . 5.0 mp -124.11 109.37 13.39 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.842 0.353 . . . . 10.0 110.28 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.765 ' HG2' ' HA3' ' O' ' 37' ' ' GLY . 2.4 mpt? -120.83 104.4 9.83 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.042 -0.526 . . . . 10.0 110.057 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 37.8 t -112.88 114.78 47.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.926 -0.579 . . . . 10.0 110.254 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.763 ' HA3' ' HG2' ' O' ' 35' ' ' MET . . . -125.28 127.99 6.45 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.757 -0.735 . . . . 10.0 112.238 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -140.5 138.87 9.3 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.499 -0.858 . . . . 10.0 112.353 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.617 HG12 ' HB ' ' F' ' 39' ' ' VAL . 21.4 m -124.67 139.6 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 10.0 110.698 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' F' ' 40' ' ' VAL . 3.8 p . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.026 -0.533 . . . . 10.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 . . . . . 0 N--CA 1.456 -0.17 0 N-CA-C 110.229 -0.286 . . . . 10.0 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.673 HG21 ' H ' ' G' ' 12' ' ' VAL . 0.0 OUTLIER -76.2 133.15 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.398 -0.364 . . . . 10.0 110.619 179.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . 0.406 ' HB3' ' CE1' ' G' ' 13' ' ' HIS . 27.6 t60 -72.52 138.62 47.08 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.959 0.726 . . . . 10.0 112.959 -177.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -123.46 95.53 4.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.309 -0.859 . . . . 10.0 108.745 178.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -93.24 126.41 38.34 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.878 -179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -133.69 120.41 20.58 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.399 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 88.3 mt -120.91 112.02 18.25 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.244 -0.434 . . . . 10.0 110.191 179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 13.0 t -115.54 117.9 57.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.878 -0.601 . . . . 10.0 110.244 -179.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 51.2 m-85 -125.59 133.61 52.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.075 0.464 . . . . 10.0 111.036 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -108.34 133.77 52.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.854 -0.612 . . . . 10.0 111.029 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.68 70.96 1.38 Allowed 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.796 -0.816 . . . . 10.0 108.796 179.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 22' ' ' GLU . . . . . 0.409 ' H ' ' HG3' ' H' ' 22' ' ' GLU . 0.0 OUTLIER -100.43 148.95 24.17 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.609 -178.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . 0.414 ' O ' HG23 ' G' ' 24' ' ' VAL . 3.6 t70 -145.8 141.21 27.71 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.196 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.25 31.53 2.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.8 0.333 . . . . 10.0 110.736 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . 0.55 ' O ' ' HA3' ' G' ' 25' ' ' GLY . . . -151.42 -64.68 0.01 OUTLIER Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.666 -0.778 . . . . 10.0 112.607 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 15.7 m -153.39 92.03 1.56 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.806 -0.442 . . . . 10.0 109.806 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.861 ' HB3' ' HA ' ' G' ' 27' ' ' ASN . 18.5 t-20 -47.95 123.95 6.83 Favored 'General case' 0 CA--C 1.52 -0.196 0 O-C-N 123.597 0.56 . . . . 10.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -104.63 -80.8 0.53 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.231 0.539 . . . . 10.0 109.989 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.27 112.8 2.46 Favored Glycine 0 N--CA 1.442 -0.949 0 CA-C-N 115.425 -0.807 . . . . 10.0 112.3 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.57 -179.28 4.55 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.576 0.227 . . . . 10.0 110.551 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -103.77 116.0 46.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.125 0.488 . . . . 10.0 110.743 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -122.75 116.79 49.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.703 -0.68 . . . . 10.0 109.576 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.73 115.74 3.47 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.464 -0.874 . . . . 10.0 113.049 -179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.45 ' HB2' ' HG ' ' G' ' 34' ' ' LEU . 3.2 mm? -102.88 99.57 9.5 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.503 -0.554 . . . . 10.0 109.503 179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.438 ' SD ' ' HA3' ' P' ' 37' ' ' GLY . 6.2 mtm -109.81 103.8 12.66 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.26 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 21.2 t -111.29 129.45 66.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.037 -0.528 . . . . 10.0 110.352 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.612 ' HA3' ' HG2' ' P' ' 35' ' ' MET . . . -133.03 138.48 10.17 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 120.889 -0.672 . . . . 10.0 112.041 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.38 130.09 4.81 Favored Glycine 0 N--CA 1.447 -0.631 0 N-CA-C 111.638 -0.585 . . . . 10.0 111.638 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.486 ' HB ' HD11 ' P' ' 31' ' ' ILE . 0.9 OUTLIER -126.96 135.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 111.944 0.35 . . . . 10.0 111.944 -179.607 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 p -172.42 165.34 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.733 -0.469 . . . . 10.0 109.733 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -105.9 169.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 110.135 -0.32 . . . . 10.0 110.135 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 42' ' ' ALA . . . . . 0.593 ' HB3' HD11 ' F' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.777 -0.63 . . . . 10.0 109.906 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . 0.46 ' HB3' HG22 ' J' ' 12' ' ' VAL . 3.3 mm-40 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.11 0.481 . . . . 10.0 110.614 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.493 HG12 ' H ' ' I' ' 13' ' ' HIS . 0.2 OUTLIER -108.8 175.15 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.411 -0.813 . . . . 10.0 112.564 -176.758 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . 0.493 ' H ' HG12 ' I' ' 12' ' ' VAL . 4.2 t60 -95.53 122.27 38.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.586 -1.188 . . . . 10.0 108.711 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -103.46 100.15 10.0 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.359 -0.608 . . . . 10.0 109.359 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -118.95 119.71 35.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.094 -0.503 . . . . 10.0 109.797 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -139.25 125.45 20.11 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.747 -0.381 . . . . 10.0 111.65 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.451 HD22 HD23 ' I' ' 34' ' ' LEU . 3.9 mp -116.23 101.96 9.16 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.918 -0.771 . . . . 10.0 108.918 178.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 m -111.47 121.22 63.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.487 0.66 . . . . 10.0 112.504 -178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -113.88 120.04 39.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.193 -0.912 . . . . 10.0 109.647 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -114.91 109.11 17.64 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.44 -0.345 . . . . 10.0 110.997 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.91 137.74 44.4 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.872 -0.604 . . . . 10.0 109.817 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 22' ' ' GLU . . . . . 0.729 ' HB2' ' H ' ' J' ' 23' ' ' ASP . 25.7 mm-40 -86.66 167.26 14.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.169 0.509 . . . . 10.0 111.104 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -142.64 89.63 2.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.922 -0.581 . . . . 10.0 110.566 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.783 ' HB ' ' HA ' ' J' ' 24' ' ' VAL . 48.6 t -127.05 -46.43 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.886 0.374 . . . . 10.0 110.131 178.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . 0.606 ' HA3' ' HA ' ' J' ' 26' ' ' SER . . . -88.06 -156.4 30.49 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.652 -0.785 . . . . 10.0 111.866 179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' J' ' 27' ' ' ASN . 0.7 OUTLIER -67.28 129.52 40.17 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 110.166 -0.309 . . . . 10.0 110.166 179.363 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -65.04 152.66 42.9 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 113.031 0.752 . . . . 10.0 113.031 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.414 ' HD2' ' HA ' ' I' ' 28' ' ' LYS . 6.6 tptm -162.15 -144.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.283 -0.871 . . . . 10.0 109.656 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . -158.57 132.32 3.06 Favored Glycine 0 C--N 1.331 0.254 0 C-N-CA 120.159 -1.019 . . . . 10.0 113.409 -179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.698 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . . . -88.44 139.17 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.836 0.351 . . . . 10.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.633 ' HB ' HD13 ' J' ' 31' ' ' ILE . 31.2 mm -87.37 90.73 3.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.161 0.505 . . . . 10.0 110.093 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.564 HG22 ' HB ' ' J' ' 32' ' ' ILE . 17.4 pt -104.82 128.38 58.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.684 -0.689 . . . . 10.0 111.075 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.56 94.36 0.7 Allowed Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 121.1 -0.571 . . . . 10.0 111.825 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.451 HD23 HD22 ' I' ' 17' ' ' LEU . 6.7 mp -88.53 99.16 12.08 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.284 -0.265 . . . . 10.0 110.284 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.553 ' HB2' ' HG3' ' J' ' 35' ' ' MET . 2.4 mpt? -130.18 68.32 1.46 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.264 0.554 . . . . 10.0 111.243 179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 60.2 t -84.79 123.07 38.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.776 -0.647 . . . . 10.0 109.398 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . -118.21 108.09 1.57 Allowed Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.837 -0.697 . . . . 10.0 112.987 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' J' ' 38' ' ' GLY . . . -131.56 122.26 3.36 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.993 -0.843 . . . . 10.0 110.993 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.423 HG12 HG12 ' J' ' 39' ' ' VAL . 14.8 p -145.63 138.32 20.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 121.011 0.434 . . . . 10.0 111.034 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 86.3 t . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.376 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 121.022 0.439 . . . . 10.0 109.929 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.639 ' HB ' HG12 ' K' ' 12' ' ' VAL . 0.2 OUTLIER -109.23 87.91 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 107.786 -1.191 . . . . 10.0 107.786 178.372 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -73.0 117.04 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.667 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 52.5 m80 -115.96 88.88 2.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.048 0.451 . . . . 10.0 110.268 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.42 ' HA ' ' O ' ' K' ' 15' ' ' GLN . 10.3 tt0 -115.39 116.09 27.67 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.043 -0.526 . . . . 10.0 110.912 -179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -127.32 129.24 47.29 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.523 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.425 ' HB3' ' HE1' ' J' ' 19' ' ' PHE . 6.2 mp -110.1 110.94 22.0 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.251 -0.886 . . . . 10.0 109.081 179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' K' ' 18' ' ' VAL . 4.0 t -114.3 117.78 56.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.168 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.425 ' HE1' ' HB3' ' J' ' 17' ' ' LEU . 67.0 m-85 -119.95 115.3 23.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.294 -0.412 . . . . 10.0 111.177 -179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -104.08 114.58 28.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.872 -0.603 . . . . 10.0 110.02 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.54 111.01 15.77 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.524 -0.547 . . . . 10.0 109.524 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 22' ' ' GLU . . . . . 0.594 ' HG2' ' HG3' ' I' ' 22' ' ' GLU . 52.7 mt-10 -92.47 152.23 19.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.583 -0.28 . . . . 10.0 111.039 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . 0.729 ' H ' ' HB2' ' I' ' 22' ' ' GLU . 5.4 m-20 -141.41 59.36 1.51 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.981 0.419 . . . . 10.0 110.3 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.783 ' HA ' ' HB ' ' I' ' 24' ' ' VAL . 38.4 t -76.26 -19.07 15.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 121.331 0.586 . . . . 10.0 110.548 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -96.73 -61.63 0.95 Allowed Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.826 -0.702 . . . . 10.0 111.577 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.606 ' HA ' ' HA3' ' I' ' 25' ' ' GLY . 48.8 p -169.62 127.63 0.93 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.334 -0.247 . . . . 10.0 110.334 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.571 ' HA ' ' OD2' ' J' ' 23' ' ' ASP . 9.8 m120 -68.23 152.11 45.94 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.582 ' HB3' ' O ' ' K' ' 28' ' ' LYS . 4.1 tptt -145.14 -90.75 0.1 Allowed 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 121.082 -0.247 . . . . 10.0 111.157 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.698 ' HA2' ' HA ' ' I' ' 30' ' ' ALA . . . 164.43 103.15 0.17 Allowed Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.356 -0.926 . . . . 10.0 112.767 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.493 ' HA ' ' CA ' ' K' ' 29' ' ' GLY . . . -88.1 153.26 21.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.597 0.237 . . . . 10.0 110.704 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.781 HG13 ' HA ' ' B' ' 41' ' ' ILE . 22.0 mm -97.01 100.09 10.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.965 -0.754 . . . . 10.0 108.965 179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.564 ' HB ' HG22 ' I' ' 32' ' ' ILE . 32.0 mt -113.32 108.09 24.64 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.075 -178.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.22 117.36 5.85 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 10.0 111.581 179.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.04 85.92 2.35 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.805 -0.443 . . . . 10.0 109.805 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.553 ' HG3' ' HB2' ' I' ' 35' ' ' MET . 2.0 mpt? -118.44 85.28 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.459 0.647 . . . . 10.0 111.239 -179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.506 HG13 ' HB ' ' K' ' 36' ' ' VAL . 34.1 t -97.26 130.37 45.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.44 -0.8 . . . . 10.0 109.287 179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . -122.17 123.64 5.49 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.631 -0.795 . . . . 10.0 112.353 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' K' ' 38' ' ' GLY . . . -142.7 116.13 1.0 Allowed Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.626 -0.797 . . . . 10.0 112.167 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' K' ' 39' ' ' VAL . 28.6 m -125.27 141.23 45.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.936 0.398 . . . . 10.0 110.581 179.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 49.1 t -127.77 137.54 57.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.123 -0.489 . . . . 10.0 109.896 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 41' ' ' ILE . . . . . 0.81 ' HA ' HG13 ' B' ' 31' ' ' ILE . 18.2 tt -64.21 130.85 29.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 121.07 0.462 . . . . 10.0 111.158 179.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.675 -179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' K' K ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB ' ' L' ' 12' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.236 0.354 0 CA-C-O 121.338 0.59 . . . . 10.0 111.254 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 12' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' J' ' 12' ' ' VAL . 4.8 m -91.42 116.34 32.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.329 -0.85 . . . . 10.0 112.521 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -87.38 99.62 12.13 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.405 -0.961 . . . . 10.0 108.405 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m170 -85.68 112.74 21.3 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.158 0.504 . . . . 10.0 111.933 -178.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 15' ' ' GLN . . . . . 0.42 ' O ' ' HA ' ' J' ' 15' ' ' GLN . 15.0 tt0 -128.71 91.09 3.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.421 -0.809 . . . . 10.0 109.101 179.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 16' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -106.14 120.97 43.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.174 -0.466 . . . . 10.0 111.74 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -116.59 114.41 24.07 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 107.979 -1.119 . . . . 10.0 107.979 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 18' ' ' VAL . . . . . 0.583 HG13 HG13 ' L' ' 18' ' ' VAL . 7.1 p -135.16 131.51 52.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 113.005 0.742 . . . . 10.0 113.005 -178.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -121.33 128.37 52.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.195 -0.911 . . . . 10.0 109.883 179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 20' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -110.32 104.34 13.12 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.143 -0.48 . . . . 10.0 110.692 -179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.62 113.11 25.1 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 22' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' L' ' 23' ' ' ASP . 51.2 mt-10 -105.63 146.98 28.98 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.918 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 23' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' J' ' 22' ' ' GLU . 2.4 t70 -139.45 126.29 20.83 Favored 'General case' 0 CA--C 1.512 -0.483 0 CA-C-N 116.513 -0.312 . . . . 10.0 111.016 179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 24' ' ' VAL . . . . . 0.456 ' CG2' ' HA ' ' L' ' 24' ' ' VAL . 12.1 m -137.6 14.86 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 109.133 -0.691 . . . . 10.0 109.133 177.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' O ' ' L' ' 25' ' ' GLY . . . -130.11 -70.07 0.11 Allowed Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.709 -0.678 . . . . 10.0 112.075 -178.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -166.93 82.62 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.448 0.124 . . . . 10.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 27' ' ' ASN . . . . . 0.425 ' HB3' ' O ' ' J' ' 26' ' ' SER . 58.6 t30 -50.01 144.23 7.04 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 112.595 0.591 . . . . 10.0 112.595 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 28' ' ' LYS . . . . . 0.582 ' O ' ' HB3' ' J' ' 28' ' ' LYS . 29.3 tttt -129.77 -105.07 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.485 -0.779 . . . . 10.0 111.03 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 29' ' ' GLY . . . . . 0.493 ' CA ' ' HA ' ' J' ' 30' ' ' ALA . . . -168.27 110.24 0.38 Allowed Glycine 0 N--CA 1.443 -0.84 0 C-N-CA 119.999 -1.096 . . . . 10.0 113.431 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 30' ' ' ALA . . . . . 0.525 ' HA ' ' CA ' ' L' ' 29' ' ' GLY . . . -82.89 148.13 27.88 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.312 -0.625 . . . . 10.0 109.312 178.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 31' ' ' ILE . . . . . 0.497 HD12 ' HB ' ' L' ' 31' ' ' ILE . 0.1 OUTLIER -102.43 90.22 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.492 -0.558 . . . . 10.0 109.492 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' K' K ' 32' ' ' ILE . . . . . 0.461 HG22 ' CG1' ' L' ' 32' ' ' ILE . 34.7 pt -112.9 131.71 63.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.219 0.533 . . . . 10.0 111.795 -178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 33' ' ' GLY . . . . . . . . . . . . . . . -124.22 115.22 2.47 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.882 -0.675 . . . . 10.0 112.009 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 34' ' ' LEU . . . . . . . . . . . . . 6.4 mp -108.54 96.87 6.64 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.006 0.431 . . . . 10.0 110.154 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' K' K ' 35' ' ' MET . . . . . 0.547 ' HG3' ' HB2' ' J' ' 35' ' ' MET . 4.1 mpp? -119.77 95.47 4.78 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.241 -179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 36' ' ' VAL . . . . . 0.506 ' HB ' HG13 ' J' ' 36' ' ' VAL . 40.7 t -102.24 121.98 53.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.938 -0.574 . . . . 10.0 109.563 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 37' ' ' GLY . . . . . 0.441 ' O ' ' HA2' ' L' ' 37' ' ' GLY . . . -115.88 116.15 3.57 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.965 -0.636 . . . . 10.0 112.378 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 38' ' ' GLY . . . . . 0.46 ' O ' ' HA2' ' J' ' 38' ' ' GLY . . . -129.23 124.69 4.61 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.868 -0.682 . . . . 10.0 111.69 179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 39' ' ' VAL . . . . . 0.536 HG23 HG23 ' J' ' 39' ' ' VAL . 7.7 p -125.29 121.42 60.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 121.389 0.614 . . . . 10.0 111.024 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' K' K ' 40' ' ' VAL . . . . . . . . . . . . . 47.1 t . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.651 -0.704 . . . . 10.0 111.009 -179.222 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' L' L ' 11' ' ' GLU . . . . . 0.458 ' HG3' ' HB2' ' M' ' 11' ' ' GLU . 31.7 mt-10 . . . . . 0 C--O 1.235 0.298 0 N-CA-C 111.639 0.237 . . . . 10.0 111.639 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 12' ' ' VAL . . . . . 0.458 ' HB ' ' HG3' ' K' ' 11' ' ' GLU . 5.3 p -71.73 142.75 14.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.011 0.434 . . . . 10.0 112.041 -179.001 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -81.93 135.36 35.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.798 -0.637 . . . . 10.0 112.557 -177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -128.09 104.13 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.605 -0.725 . . . . 10.0 109.486 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 15' ' ' GLN . . . . . 0.478 ' HA ' ' O ' ' M' ' 15' ' ' GLN . 28.8 pt20 -125.83 138.42 53.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.387 0.613 . . . . 10.0 112.371 -179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 16' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -133.77 120.8 20.98 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.389 -0.823 . . . . 10.0 110.402 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mp -111.01 115.96 30.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.762 -0.654 . . . . 10.0 109.488 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 18' ' ' VAL . . . . . 0.717 ' HB ' HG12 ' M' ' 18' ' ' VAL . 7.7 t -125.18 122.45 63.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.031 0.443 . . . . 10.0 111.12 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 19' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -119.21 122.81 42.82 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.02 -0.536 . . . . 10.0 110.308 179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 20' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' M' ' 20' ' ' PHE . 98.1 m-85 -102.18 126.82 49.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.95 -0.568 . . . . 10.0 110.638 -179.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.29 97.77 4.21 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.326 -0.62 . . . . 10.0 109.326 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 22' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -99.35 93.68 6.05 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.776 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 23' ' ' ASP . . . . . 0.519 ' HB2' ' O ' ' K' ' 22' ' ' GLU . 1.0 OUTLIER -87.35 114.53 24.05 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 109.738 -0.467 . . . . 10.0 109.738 179.59 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' L' L ' 24' ' ' VAL . . . . . 0.55 ' HB ' ' HA ' ' M' ' 24' ' ' VAL . 61.4 t -111.79 -25.45 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 120.828 0.347 . . . . 10.0 111.185 -179.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 25' ' ' GLY . . . . . 0.486 ' HA3' ' O ' ' M' ' 25' ' ' GLY . . . -98.61 -118.94 4.04 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.196 -1.002 . . . . 10.0 112.6 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -100.16 95.39 6.79 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.656 -0.498 . . . . 10.0 109.656 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.21 145.03 11.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 123.608 0.567 . . . . 10.0 112.152 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 28' ' ' LYS . . . . . 0.777 ' HD3' ' HA ' ' M' ' 28' ' ' LYS . 27.6 tttm -136.2 -85.14 0.36 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.007 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 29' ' ' GLY . . . . . 0.525 ' CA ' ' HA ' ' K' ' 30' ' ' ALA . . . 152.85 123.19 0.96 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.125 -1.035 . . . . 10.0 112.943 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 30' ' ' ALA . . . . . 0.55 ' HA ' ' CA ' ' M' ' 29' ' ' GLY . . . -92.21 159.04 15.83 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 110.162 -0.31 . . . . 10.0 110.162 179.494 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 31' ' ' ILE . . . . . 0.497 ' HB ' HD12 ' K' ' 31' ' ' ILE . 3.6 tp -111.21 98.17 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.692 0.758 . . . . 10.0 110.14 179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 32' ' ' ILE . . . . . 0.828 HG22 ' HB ' ' M' ' 32' ' ' ILE . 6.0 pt -124.43 135.12 64.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.374 -0.83 . . . . 10.0 111.333 -179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.96 128.14 7.12 Favored Glycine 0 N--CA 1.443 -0.885 0 CA-C-N 115.566 -0.743 . . . . 10.0 112.417 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -108.33 94.32 5.0 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.168 -0.679 . . . . 10.0 109.168 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 35' ' ' MET . . . . . 0.408 ' HG2' ' CA ' ' D' ' 37' ' ' GLY . 3.1 mpp? -114.09 96.93 6.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.479 0.657 . . . . 10.0 111.562 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 36' ' ' VAL . . . . . 0.433 ' HB ' HG13 ' K' ' 36' ' ' VAL . 48.0 t -106.84 128.29 61.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.096 -0.705 . . . . 10.0 109.096 179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 37' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' K' ' 37' ' ' GLY . . . -130.89 132.22 6.77 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.685 -0.769 . . . . 10.0 112.286 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.82 135.79 5.88 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.379 -0.915 . . . . 10.0 112.799 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' L' L ' 39' ' ' VAL . . . . . 0.552 ' CG2' HG23 ' M' ' 39' ' ' VAL . 1.5 m -127.24 151.28 33.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.479 -0.563 . . . . 10.0 109.479 179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 40' ' ' VAL . . . . . 0.566 HG23 ' HB ' ' M' ' 40' ' ' VAL . 9.9 p -153.58 154.03 7.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 120.893 0.378 . . . . 10.0 111.686 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 41' ' ' ILE . . . . . 0.648 HD11 HG12 ' E' ' 31' ' ' ILE . 23.0 mm -72.57 131.49 34.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.888 -0.596 . . . . 10.0 109.945 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' L' L ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.506 0 CA-C-N 116.289 -0.414 . . . . 10.0 110.463 179.538 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' M' M ' 11' ' ' GLU . . . . . 0.848 ' HA ' HG22 ' N' ' 12' ' ' VAL . 1.5 mp0 . . . . . 0 CA--C 1.524 -0.045 0 CA-C-O 121.482 0.658 . . . . 10.0 110.518 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 12' ' ' VAL . . . . . 0.415 HG12 HG12 ' L' ' 12' ' ' VAL . 27.8 m -73.1 131.31 35.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.769 -179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -73.43 118.08 15.95 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.601 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -102.89 110.33 22.21 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.223 0.535 . . . . 10.0 111.602 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 15' ' ' GLN . . . . . 0.478 ' O ' ' HA ' ' L' ' 15' ' ' GLN . 0.7 OUTLIER -119.01 121.12 39.16 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.249 179.264 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 16' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -132.58 125.68 31.03 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.101 0.477 . . . . 10.0 111.258 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 17' ' ' LEU . . . . . . . . . . . . . 33.2 mt -120.97 111.03 16.99 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.683 -0.858 . . . . 10.0 108.683 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB ' ' L' ' 18' ' ' VAL . 0.6 OUTLIER -124.7 126.24 71.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-O 121.27 0.557 . . . . 10.0 112.482 -178.726 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 19' ' ' PHE . . . . . 0.431 ' CE1' HD21 ' M' ' 34' ' ' LEU . 26.7 m-85 -122.28 124.1 42.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.5 -0.773 . . . . 10.0 109.893 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 20' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' L' ' 20' ' ' PHE . 49.8 m-85 -106.91 100.78 10.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.156 -0.475 . . . . 10.0 111.46 -178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.11 108.94 20.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.358 -0.608 . . . . 10.0 109.358 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 22' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -114.19 132.45 56.1 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.045 -0.525 . . . . 10.0 111.821 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.95 143.19 51.01 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.294 -0.412 . . . . 10.0 110.223 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 24' ' ' VAL . . . . . 0.55 ' HA ' ' HB ' ' L' ' 24' ' ' VAL . 1.3 t -138.57 18.82 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.892 -0.594 . . . . 10.0 110.017 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 25' ' ' GLY . . . . . 0.486 ' O ' ' HA3' ' L' ' 25' ' ' GLY . . . -152.56 -67.64 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 119.621 -1.276 . . . . 10.0 114.253 -178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -141.9 121.51 13.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 122.544 -0.386 . . . . 10.0 110.297 -178.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -84.56 150.96 24.86 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.142 0.496 . . . . 10.0 111.078 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 28' ' ' LYS . . . . . 0.777 ' HA ' ' HD3' ' L' ' 28' ' ' LYS . 2.1 tttt -139.94 -112.9 0.15 Allowed 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.651 -0.704 . . . . 10.0 110.057 179.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 29' ' ' GLY . . . . . 0.55 ' CA ' ' HA ' ' L' ' 30' ' ' ALA . . . -175.05 112.52 0.41 Allowed Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.123 -1.037 . . . . 10.0 113.14 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 30' ' ' ALA . . . . . 0.481 ' HA ' ' HA3' ' N' ' 29' ' ' GLY . . . -83.68 154.18 23.81 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.944 -0.391 . . . . 10.0 109.944 179.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 31' ' ' ILE . . . . . 0.56 HG12 HD11 ' D' ' 41' ' ' ILE . 0.7 OUTLIER -109.57 96.02 4.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 -179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' M' M ' 32' ' ' ILE . . . . . 0.828 ' HB ' HG22 ' L' ' 32' ' ' ILE . 26.4 mt -122.36 126.45 74.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.12 0.486 . . . . 10.0 111.095 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.23 114.25 2.44 Favored Glycine 0 N--CA 1.445 -0.764 0 C-N-CA 120.852 -0.689 . . . . 10.0 111.877 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 34' ' ' LEU . . . . . 0.629 ' HG ' HD23 ' N' ' 34' ' ' LEU . 6.0 mp -103.3 106.62 17.18 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.012 -0.366 . . . . 10.0 110.012 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 35' ' ' MET . . . . . 0.849 ' HG3' ' HA3' ' E' ' 37' ' ' GLY . 5.0 mmt -118.96 101.36 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.819 -0.628 . . . . 10.0 110.233 -179.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 36' ' ' VAL . . . . . 0.42 HG11 HE22 ' M' ' 15' ' ' GLN . 31.1 t -109.7 117.72 55.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.459 -0.571 . . . . 10.0 109.459 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 37' ' ' GLY . . . . . 0.421 ' O ' ' HA2' ' N' ' 37' ' ' GLY . . . -122.85 123.59 5.4 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.529 -0.843 . . . . 10.0 112.741 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.64 128.08 5.61 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.634 -0.793 . . . . 10.0 112.39 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' M' M ' 39' ' ' VAL . . . . . 0.552 HG23 ' CG2' ' L' ' 39' ' ' VAL . 7.3 p -117.97 114.06 44.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.274 0.559 . . . . 10.0 110.576 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' M' M ' 40' ' ' VAL . . . . . 0.566 ' HB ' HG23 ' L' ' 40' ' ' VAL . 26.2 t . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.077 -0.51 . . . . 10.0 111.196 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.958 0.409 . . . . 10.0 110.582 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' N' N ' 12' ' ' VAL . . . . . 0.975 ' HB ' HG12 ' O' ' 12' ' ' VAL . 6.2 t -102.0 127.16 55.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 116.078 -0.51 . . . . 10.0 109.804 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 13' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -97.87 129.95 44.79 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.113 0.482 . . . . 10.0 111.446 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 14' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -124.32 114.41 19.52 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.59 -0.732 . . . . 10.0 109.163 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 15' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -122.71 114.22 20.27 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.867 0.365 . . . . 10.0 110.904 -178.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 16' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -128.72 116.95 20.31 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.455 0.645 . . . . 10.0 111.914 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mp -110.91 118.13 35.26 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.174 -0.921 . . . . 10.0 109.405 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 18' ' ' VAL . . . . . 0.834 ' HB ' HG12 ' O' ' 18' ' ' VAL . 5.1 t -121.49 115.63 47.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.073 0.463 . . . . 10.0 110.416 -179.257 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 19' ' ' PHE . . . . . . . . . . . . . 31.9 m-85 -117.29 125.41 51.03 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.224 -0.444 . . . . 10.0 110.558 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 20' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -105.75 130.15 53.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.595 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 21' ' ' ALA . . . . . . . . . . . . . . . -140.26 86.35 2.07 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.535 -0.543 . . . . 10.0 109.535 179.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 22' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -109.48 116.51 31.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.122 -0.49 . . . . 10.0 111.062 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 23' ' ' ASP . . . . . 0.452 ' OD2' ' HB3' ' O' ' 23' ' ' ASP . 43.3 m-20 -116.76 118.66 33.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.131 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 24' ' ' VAL . . . . . 0.565 HG22 ' HA ' ' O' ' 24' ' ' VAL . 32.7 m -98.71 9.96 7.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.64 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 25' ' ' GLY . . . . . . . . . . . . . . . -118.28 -86.43 1.1 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.728 -0.749 . . . . 10.0 111.603 179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 26' ' ' SER . . . . . . . . . . . . . 60.6 p -144.76 102.67 3.82 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.825 -0.435 . . . . 10.0 109.825 179.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 27' ' ' ASN . . . . . 0.452 ' O ' ' HB2' ' M' ' 28' ' ' LYS . 1.4 m120 -63.32 145.68 55.06 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.826 -0.624 . . . . 10.0 110.898 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 28' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' M' ' 28' ' ' LYS . 0.0 OUTLIER -127.49 -65.5 0.93 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.706 -0.85 . . . . 10.0 108.706 178.618 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' N' N ' 29' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' M' ' 30' ' ' ALA . . . 133.98 120.22 2.06 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 119.962 -1.113 . . . . 10.0 113.538 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 30' ' ' ALA . . . . . 0.486 ' HA ' ' HA2' ' O' ' 29' ' ' GLY . . . -95.47 165.89 12.13 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.767 -0.827 . . . . 10.0 108.767 178.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 31' ' ' ILE . . . . . 0.644 HG12 HG13 ' F' ' 39' ' ' VAL . 12.6 tt -110.99 113.82 45.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.553 0 CA-C-O 121.821 0.82 . . . . 10.0 111.236 179.089 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 32' ' ' ILE . . . . . 0.532 ' HB ' HG23 ' M' ' 32' ' ' ILE . 16.6 mt -120.07 122.31 68.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.151 -0.932 . . . . 10.0 110.642 -179.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 33' ' ' GLY . . . . . . . . . . . . . . . -112.44 113.56 3.28 Favored Glycine 0 N--CA 1.441 -0.994 0 N-CA-C 111.381 -0.688 . . . . 10.0 111.381 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 34' ' ' LEU . . . . . 0.629 HD23 ' HG ' ' M' ' 34' ' ' LEU . 2.3 mm? -104.62 101.88 11.51 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.583 -0.525 . . . . 10.0 109.583 179.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 35' ' ' MET . . . . . 0.53 ' HG2' ' HA3' ' F' ' 37' ' ' GLY . 1.8 mpt? -118.79 100.32 7.33 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.194 0.521 . . . . 10.0 111.037 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 36' ' ' VAL . . . . . . . . . . . . . 29.0 t -110.32 130.36 63.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.661 -0.699 . . . . 10.0 109.914 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 37' ' ' GLY . . . . . 0.5 ' HA3' ' HG2' ' F' ' 35' ' ' MET . . . -134.52 134.28 7.29 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.78 -0.724 . . . . 10.0 112.691 -179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.11 135.41 7.89 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.786 -0.721 . . . . 10.0 112.524 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' N' N ' 39' ' ' VAL . . . . . 0.599 HG13 HG12 ' F' ' 31' ' ' ILE . 46.2 t -125.59 126.62 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 40' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' O' ' 40' ' ' VAL . 5.3 p -150.22 131.84 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 112.555 0.576 . . . . 10.0 112.555 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 41' ' ' ILE . . . . . 0.429 HD11 ' HB3' ' P' ' 42' ' ' ALA . 8.9 pt -80.42 135.29 25.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.331 -0.395 . . . . 10.0 110.561 179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' N' N ' 42' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.419 -0.355 . . . . 10.0 110.53 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' O' O ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 . . . . . 0 C--O 1.234 0.282 0 CA-C-O 121.234 0.54 . . . . 10.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' O' O ' 12' ' ' VAL . . . . . 0.975 HG12 ' HB ' ' N' ' 12' ' ' VAL . 11.0 m -123.67 131.34 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.846 -0.615 . . . . 10.0 112.283 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 13' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -90.42 102.59 15.32 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 107.813 -1.18 . . . . 10.0 107.813 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m170 -94.81 110.44 22.31 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.12 0.486 . . . . 10.0 112.071 -178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -107.98 100.76 10.07 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.825 -0.806 . . . . 10.0 108.825 179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 16' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -112.27 111.75 22.85 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.915 -179.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 17' ' ' LEU . . . . . . . . . . . . . 30.6 mt -115.85 118.57 33.37 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.448 -0.575 . . . . 10.0 109.448 179.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 18' ' ' VAL . . . . . 0.834 HG12 ' HB ' ' N' ' 18' ' ' VAL . 2.8 m -130.37 131.53 65.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 112.786 0.662 . . . . 10.0 112.786 -179.079 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 19' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -126.49 123.9 38.85 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.075 -0.966 . . . . 10.0 109.147 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 20' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -107.97 105.44 15.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.433 -0.348 . . . . 10.0 111.901 -178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.07 119.15 34.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.214 -0.662 . . . . 10.0 109.214 178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 22' ' ' GLU . . . . . 0.686 ' HG3' ' HB3' ' P' ' 22' ' ' GLU . 1.6 pt-20 -137.69 129.0 27.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.447 -0.342 . . . . 10.0 111.564 -178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 23' ' ' ASP . . . . . 0.606 ' HB2' HD22 ' P' ' 27' ' ' ASN . 4.7 t70 -112.74 143.08 44.57 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.782 -0.645 . . . . 10.0 110.991 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 24' ' ' VAL . . . . . 0.565 ' HA ' HG22 ' N' ' 24' ' ' VAL . 24.5 t -119.62 -1.28 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.374 0.607 . . . . 10.0 110.162 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 25' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' P' ' 25' ' ' GLY . . . -127.67 -69.42 0.15 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.325 -0.941 . . . . 10.0 113.491 -178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 26' ' ' SER . . . . . . . . . . . . . 49.7 m -157.21 110.84 2.59 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 122.754 -0.263 . . . . 10.0 110.772 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 27' ' ' ASN . . . . . 0.816 ' HA ' ' HB3' ' P' ' 27' ' ' ASN . 22.2 t-20 -64.07 148.9 48.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.433 -0.349 . . . . 10.0 110.252 179.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 28' ' ' LYS . . . . . 0.513 ' HB3' ' O ' ' P' ' 28' ' ' LYS . 56.2 tttp -126.02 -77.5 0.58 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.647 -0.251 . . . . 10.0 110.565 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 29' ' ' GLY . . . . . 0.486 ' HA2' ' HA ' ' N' ' 30' ' ' ALA . . . 159.07 114.31 0.38 Allowed Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 119.894 -1.146 . . . . 10.0 112.942 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.16 163.25 13.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.287 -0.264 . . . . 10.0 110.287 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 31' ' ' ILE . . . . . . . . . . . . . 40.9 mt -109.35 98.06 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.202 -0.666 . . . . 10.0 109.202 179.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 32' ' ' ILE . . . . . . . . . . . . . 31.3 mt -111.55 115.46 49.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.324 -0.398 . . . . 10.0 110.289 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 33' ' ' GLY . . . . . 0.424 ' HA3' HG11 ' G' ' 39' ' ' VAL . . . -121.6 122.65 5.22 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.511 -0.852 . . . . 10.0 112.323 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 34' ' ' LEU . . . . . . . . . . . . . 5.5 mp -120.13 107.54 13.16 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.999 -0.371 . . . . 10.0 109.999 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 35' ' ' MET . . . . . 0.763 ' HG2' ' HA3' ' G' ' 37' ' ' GLY . 2.2 mpt? -118.57 103.47 9.75 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.407 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -113.2 115.63 50.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.786 -0.643 . . . . 10.0 109.842 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 37' ' ' GLY . . . . . 0.765 ' HA3' ' HG2' ' G' ' 35' ' ' MET . . . -129.77 121.55 3.47 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.674 -0.774 . . . . 10.0 112.029 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.82 139.19 10.52 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.428 -0.892 . . . . 10.0 112.956 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' O' O ' 39' ' ' VAL . . . . . 0.541 HG12 ' HB ' ' N' ' 39' ' ' VAL . 19.5 m -120.4 143.66 31.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 120.855 0.36 . . . . 10.0 110.336 179.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' O' O ' 40' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' N' ' 40' ' ' VAL . 3.6 p . . . . . 0 C--N 1.323 -0.566 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.808 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 11' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.831 -0.433 . . . . 10.0 109.831 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 12' ' ' VAL . . . . . 0.557 HG21 ' H ' ' O' ' 12' ' ' VAL . 0.0 OUTLIER -79.77 131.28 34.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.984 -0.376 . . . . 10.0 109.984 179.228 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 13' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -67.52 133.18 49.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.312 0.856 . . . . 10.0 113.312 -177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 14' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 -114.93 96.19 5.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.297 -1.001 . . . . 10.0 108.297 178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 15' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -94.21 121.93 36.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.309 -0.405 . . . . 10.0 111.022 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 16' ' ' LYS . . . . . . . . . . . . . 10.8 tttm -133.02 113.83 13.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.474 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 17' ' ' LEU . . . . . . . . . . . . . 85.3 mt -118.0 119.15 33.92 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.088 -0.505 . . . . 10.0 109.781 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 t -123.81 124.44 69.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.978 -0.555 . . . . 10.0 110.529 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 19' ' ' PHE . . . . . . . . . . . . . 57.1 m-85 -130.59 137.11 49.49 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.949 0.404 . . . . 10.0 110.841 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 20' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -113.79 130.03 56.51 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.049 -0.523 . . . . 10.0 111.143 -179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.75 73.87 1.46 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.291 -0.633 . . . . 10.0 109.291 179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 22' ' ' GLU . . . . . 0.686 ' HB3' ' HG3' ' O' ' 22' ' ' GLU . 0.0 OUTLIER -103.49 151.65 22.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.939 -0.573 . . . . 10.0 111.747 -179.306 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 23' ' ' ASP . . . . . 0.406 ' CG ' ' H ' ' P' ' 25' ' ' GLY . 0.4 OUTLIER -144.89 148.2 33.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.246 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 24' ' ' VAL . . . . . 0.479 ' HA ' ' HB ' ' O' ' 24' ' ' VAL . 1.4 t -122.48 13.02 5.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 10.0 110.913 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 25' ' ' GLY . . . . . 0.46 ' O ' ' HA3' ' O' ' 25' ' ' GLY . . . -130.03 -62.74 0.1 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.508 -0.854 . . . . 10.0 112.248 -179.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -159.43 98.19 1.39 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.772 -0.455 . . . . 10.0 109.772 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 27' ' ' ASN . . . . . 0.816 ' HB3' ' HA ' ' O' ' 27' ' ' ASN . 38.9 t-20 -49.07 119.62 3.37 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.745 -0.661 . . . . 10.0 110.826 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 28' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' O' ' 28' ' ' LYS . 42.3 tttp -95.33 -87.29 0.28 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.232 0.539 . . . . 10.0 110.31 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 29' ' ' GLY . . . . . . . . . . . . . . . 131.75 114.3 1.59 Allowed Glycine 0 N--CA 1.441 -1.027 0 CA-C-N 115.42 -0.809 . . . . 10.0 111.904 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.27 176.25 5.21 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.216 -0.29 . . . . 10.0 110.216 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 31' ' ' ILE . . . . . 0.486 HD11 ' HB ' ' H' ' 39' ' ' VAL . 0.0 OUTLIER -103.91 115.68 46.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.05 0.452 . . . . 10.0 110.581 179.415 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 32' ' ' ILE . . . . . . . . . . . . . 22.1 mt -121.5 118.84 57.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.375 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' CG1' ' H' ' 39' ' ' VAL . . . -116.32 121.18 5.12 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.589 -0.815 . . . . 10.0 112.816 -179.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 34' ' ' LEU . . . . . 0.424 HD13 ' HA ' ' P' ' 34' ' ' LEU . 2.7 mm? -111.15 87.43 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.857 0.361 . . . . 10.0 110.355 179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 35' ' ' MET . . . . . 0.612 ' HG2' ' HA3' ' H' ' 37' ' ' GLY . 4.7 mpp? -97.54 101.31 12.81 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.213 -0.449 . . . . 10.0 109.992 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 36' ' ' VAL . . . . . . . . . . . . . 37.5 t -109.37 122.17 63.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.167 -0.469 . . . . 10.0 110.834 -179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 37' ' ' GLY . . . . . 0.438 ' HA3' ' SD ' ' H' ' 35' ' ' MET . . . -119.3 154.93 16.26 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.846 -0.693 . . . . 10.0 112.318 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 38' ' ' GLY . . . . . . . . . . . . . . . -152.77 132.31 3.64 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.117 -0.563 . . . . 10.0 111.808 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 39' ' ' VAL . . . . . 0.425 ' O ' ' HB ' ' P' ' 40' ' ' VAL . 0.8 OUTLIER -132.41 143.7 39.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.66 0.267 . . . . 10.0 111.613 -179.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' P' P ' 40' ' ' VAL . . . . . 0.425 ' HB ' ' O ' ' P' ' 39' ' ' VAL . 7.2 p 177.48 164.58 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.749 -0.66 . . . . 10.0 109.47 179.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 41' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -99.71 -169.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.159 -0.312 . . . . 10.0 110.159 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' P' P ' 42' ' ' ALA . . . . . 0.429 ' HB3' HD11 ' N' ' 41' ' ' ILE . . . . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.742 -0.647 . . . . 10.0 109.755 179.952 . . . . . . . . 1 1 . 1 stop_ save_