data_2m1j_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2m1j _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.28 104.5 0.27 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 106.38 -2.688 . . . . 0.0 106.38 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.63 -153.12 18.09 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -159.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m -54.79 -21.04 9.88 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 165.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.1 -35.51 62.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.877 1.271 . . . . 0.0 113.152 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -21.67 66.39 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.555 -0.716 . . . . 0.0 112.504 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.46 67.3 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.737 1.153 . . . . 0.0 113.375 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -78.38 -38.13 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.566 1.146 . . . . 0.0 111.25 172.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.72 -47.95 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.299 1.44 . . . . 0.0 112.79 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.0 m -52.44 -53.65 42.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.123 1.369 . . . . 0.0 113.855 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.58 -35.06 74.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 tp -63.77 -45.79 88.21 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.273 0.4 OUTLIER -70.14 -24.62 63.2 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.228 -0.891 . . . . 0.0 113.363 -171.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.258 25.5 p90 -90.84 -33.65 15.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 167.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 m -55.57 -45.88 77.27 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.005 -1.059 . . . . 0.0 111.943 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -69.16 -46.51 67.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.534 1.134 . . . . 0.0 110.882 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.54 -34.9 27.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.951 2.501 . . . . 0.0 113.686 169.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -85.75 -39.12 17.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 112.564 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.431 ' HB2' ' H ' ' A' ' 29' ' ' ILE . 3.9 t -65.5 -13.12 58.16 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 -161.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -72.04 -41.55 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -104.01 -12.08 17.01 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.456 1.903 . . . . 0.0 113.24 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.45 -171.13 3.81 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.65 1.58 . . . . 0.0 110.78 -164.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -71.56 -55.71 7.28 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.228 -0.92 . . . . 0.0 111.591 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -110.01 3.21 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 123.748 0.69 . . . . 0.0 112.958 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.431 ' H ' ' HB2' ' A' ' 23' ' ' SER . 64.5 mt . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 126.053 1.741 . . . . 0.0 110.811 164.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.547 0.833 0 CA-C-O 120.577 0.227 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.14 62.58 0.53 Allowed Glycine 0 N--CA 1.467 0.751 0 C-N-CA 126.356 1.931 . . . . 0.0 109.085 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.87 -134.09 1.59 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.891 1.71 . . . . 0.0 110.807 -166.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.8 m -52.27 -27.88 16.73 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.356 1.614 . . . . 0.0 115.356 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.65 -36.45 62.09 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.2 mt -65.51 -22.89 66.77 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.518 -0.738 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -27.61 68.69 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.413 1.006 . . . . 0.0 112.868 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.75 -44.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 110.951 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.77 -42.97 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.511 1.124 . . . . 0.0 113.144 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.5 m -53.05 -57.94 8.69 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 125.442 1.497 . . . . 0.0 113.192 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.31 -27.48 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 120.878 -1.139 . . . . 0.0 113.102 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 tp -75.24 -14.29 60.51 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.215 1.006 . . . . 0.0 113.357 172.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.01 -46.71 4.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 113.82 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -79.33 -24.46 42.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.895 -1.128 . . . . 0.0 111.155 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m -54.53 -31.56 56.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.416 1.086 . . . . 0.0 113.482 167.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -78.2 -41.19 35.28 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.734 1.213 . . . . 0.0 111.339 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.11 -44.92 71.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.2 1.4 . . . . 0.0 112.459 159.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -82.77 -21.99 34.45 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -167.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -12.87 11.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.002 1.721 . . . . 0.0 114.706 -171.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.3 m -75.29 -33.02 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.716 1.607 . . . . 0.0 114.242 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -113.0 4.62 16.82 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.538 1.535 . . . . 0.0 112.648 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.72 177.66 10.23 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -168.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -53.5 -45.74 69.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.024 1.33 . . . . 0.0 113.558 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.18 -108.16 0.52 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.11 1.338 . . . . 0.0 114.351 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 126.737 2.015 . . . . 0.0 112.404 -175.7 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.549 0.904 0 N-CA-C 111.285 0.106 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.72 68.03 0.42 Allowed Glycine 0 N--CA 1.465 0.604 0 C-N-CA 125.924 1.725 . . . . 0.0 109.369 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.21 -146.93 5.23 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.929 1.252 . . . . 0.0 110.847 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.9 m -57.93 -10.36 1.74 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.02 -40.51 73.51 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.096 -1.003 . . . . 0.0 112.809 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.92 -11.04 54.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.844 -1.074 . . . . 0.0 113.347 177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -18.38 61.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.996 1.726 . . . . 0.0 113.023 170.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.19 -37.7 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.331 1.452 . . . . 0.0 111.455 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 t -77.29 -36.08 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.301 1.441 . . . . 0.0 113.485 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.5 m -51.47 -50.45 59.81 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.627 1.571 . . . . 0.0 114.086 -178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.92 -30.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.66 -30.81 69.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.953 0.901 . . . . 0.0 111.842 167.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.264 0.3 OUTLIER -86.8 -36.74 18.37 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -176.031 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.251 25.0 p90 -77.46 -40.1 44.39 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.052 1.296 . . . . 0.0 113.605 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -56.36 -9.66 0.74 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.215 1.806 . . . . 0.0 115.194 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -69.12 -43.25 74.82 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.301 2.241 . . . . 0.0 111.443 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.02 54.67 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.186 1.794 . . . . 0.0 113.866 173.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -85.86 -39.61 16.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.694 1.597 . . . . 0.0 111.756 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.5 p -61.47 -13.6 22.01 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -165.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 m -89.6 -40.59 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 125.813 1.645 . . . . 0.0 112.347 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -95.38 -5.24 43.74 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.031 1.732 . . . . 0.0 113.565 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.67 -165.69 1.2 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.161 1.784 . . . . 0.0 111.857 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.53 -44.87 33.18 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.896 0.878 . . . . 0.0 112.036 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.08 -124.77 33.06 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.043 0.83 . . . . 0.0 113.051 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.867 0 C-N-CA 125.555 1.542 . . . . 0.0 114.116 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 CA--C 1.549 0.908 0 CA-C-O 118.851 -0.595 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.5 -3.5 0.72 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 116.614 1.405 . . . . 0.0 116.614 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.97 -119.21 1.67 Allowed Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.769 1.285 . . . . 0.0 113.631 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m -53.63 -26.94 24.38 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 172.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.67 -40.92 66.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 113.313 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.62 -18.57 62.87 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.8 -1.188 . . . . 0.0 112.752 -173.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.26 58.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.889 0.876 . . . . 0.0 112.596 169.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.83 -37.98 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.492 0.717 . . . . 0.0 110.886 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -70.07 -34.43 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.168 0.987 . . . . 0.0 113.027 172.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 m -55.41 -51.75 65.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.39 -31.64 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.35 -49.72 76.46 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.304 0.4 OUTLIER -68.6 -26.61 65.46 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -169.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.27 23.7 p90 -90.63 -33.79 15.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 m -55.78 -37.48 68.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.843 -1.161 . . . . 0.0 112.184 174.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.34 -45.17 81.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.2 1.4 . . . . 0.0 111.606 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -33.64 66.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 113.464 171.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.2 t -80.84 -35.36 32.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.117 0.967 . . . . 0.0 112.414 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -65.88 -5.17 8.35 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -167.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.75 -43.52 69.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 120.208 -1.558 . . . . 0.0 114.445 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -109.2 -2.17 18.18 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.692 1.197 . . . . 0.0 112.963 -178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.27 -171.32 3.56 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.609 1.164 . . . . 0.0 111.874 -163.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -65.72 -57.13 8.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.95 -106.02 1.0 Allowed Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.979 0.8 . . . . 0.0 112.046 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.9 mt . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 127.885 2.474 . . . . 0.0 112.423 168.505 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 CA--C 1.548 0.872 0 CA-C-O 118.121 -0.942 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.36 -10.22 1.94 Allowed Glycine 0 N--CA 1.477 1.41 0 CA-C-N 121.144 1.793 . . . . 0.0 115.953 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -139.75 2.1 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.945 1.259 . . . . 0.0 113.538 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 m -52.37 -16.23 0.82 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -53.18 -42.63 66.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.24 0.927 . . . . 0.0 113.379 163.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.53 -16.08 63.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.9 1.28 . . . . 0.0 113.578 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.72 -24.03 65.36 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 113.021 166.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.95 -36.54 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.656 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.1 -40.94 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.973 0.909 . . . . 0.0 111.578 172.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.03 -53.91 36.26 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.456 1.102 . . . . 0.0 113.481 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.85 -22.94 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.04 -50.85 60.62 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.501 -0.749 . . . . 0.0 109.631 160.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -36.51 78.37 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -164.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -85.05 -30.48 24.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.043 0.838 . . . . 0.0 110.88 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -60.13 -36.44 77.5 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.031 -1.043 . . . . 0.0 112.686 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -67.19 -47.35 71.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.007 1.323 . . . . 0.0 110.983 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -34.98 64.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.059 1.744 . . . . 0.0 113.257 168.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -91.14 -23.62 20.22 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.5 t -62.54 -7.91 5.44 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -173.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -80.28 -34.83 15.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 126.396 1.878 . . . . 0.0 114.288 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -107.49 3.0 24.58 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.496 1.918 . . . . 0.0 113.289 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.47 -177.57 5.35 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.73 1.612 . . . . 0.0 111.47 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -61.24 -52.19 65.78 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.006 -1.059 . . . . 0.0 111.357 167.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.39 -97.18 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.517 2.008 . . . . 0.0 113.095 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.2 mt . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 126.228 1.811 . . . . 0.0 112.385 177.651 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.452 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER . . . . . 0 CA--C 1.558 1.263 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.85 4.29 1.87 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.583 1.564 . . . . 0.0 114.895 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.49 -137.85 3.29 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.282 1.42 . . . . 0.0 112.057 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.5 -20.97 3.27 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -56.02 -41.93 75.68 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 168.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.74 -20.36 65.23 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.819 -1.175 . . . . 0.0 112.789 -172.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -21.51 64.71 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.287 1.035 . . . . 0.0 113.366 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.71 -41.97 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 121.378 -0.826 . . . . 0.0 110.297 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.18 -36.9 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.615 1.166 . . . . 0.0 112.137 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.46 -58.31 7.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 124.785 1.234 . . . . 0.0 113.475 174.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.967 -1.083 . . . . 0.0 112.043 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.35 -20.02 65.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.751 0.82 . . . . 0.0 112.158 171.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.3 OUTLIER -95.15 -38.31 10.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.351 1.46 . . . . 0.0 113.874 175.029 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -93.5 -41.48 9.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.871 1.669 . . . . 0.0 112.93 -174.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -73.28 -18.54 61.2 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.75 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.08 -45.17 43.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 112.495 166.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -29.96 28.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.023 1.729 . . . . 0.0 113.483 168.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -78.26 -45.17 23.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.02 1.328 . . . . 0.0 111.268 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -54.35 -15.73 1.8 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 -162.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 m -86.87 -28.86 5.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 126.397 1.879 . . . . 0.0 114.527 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -125.2 6.46 7.82 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 112.499 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.36 176.54 12.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.387 1.075 . . . . 0.0 112.349 -169.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -63.57 -52.23 61.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.898 0.879 . . . . 0.0 111.918 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.22 -129.61 46.0 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.03 0.824 . . . . 0.0 112.305 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.305 1.442 . . . . 0.0 114.688 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.554 1.099 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.31 64.29 0.29 Allowed Glycine 0 N--CA 1.472 1.053 0 CA-C-N 121.681 2.037 . . . . 0.0 111.723 -160.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.12 -128.47 1.05 Allowed Glycine 0 CA--C 1.537 1.469 0 C-N-CA 123.517 0.58 . . . . 0.0 112.501 -171.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 96.9 m -48.29 -30.12 4.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.186 1.795 . . . . 0.0 114.859 170.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.01 -40.51 85.14 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.62 -14.73 63.21 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.844 -1.16 . . . . 0.0 112.854 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.38 -36.43 61.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.899 0.772 . . . . 0.0 111.746 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.78 -43.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.86 1.264 . . . . 0.0 111.504 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -64.42 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.496 -0.753 . . . . 0.0 111.597 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.4 m -60.99 -51.03 71.0 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.426 1.49 . . . . 0.0 114.359 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.32 -32.32 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.271 -0.893 . . . . 0.0 113.222 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.11 -46.04 90.79 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.2 OUTLIER -64.1 -42.01 97.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.845 -176.171 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.256 11.0 p90 -82.32 -26.45 33.01 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 m -61.1 -46.57 90.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.789 0.836 . . . . 0.0 111.464 169.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -72.31 -37.88 68.83 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.527 1.131 . . . . 0.0 112.086 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -31.68 63.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.931 1.692 . . . . 0.0 113.342 166.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -87.86 -40.18 14.21 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.35 0.66 . . . . 0.0 112.0 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.3 t -62.93 -15.43 55.41 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -166.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.56 -26.17 30.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 120.02 -1.675 . . . . 0.0 115.11 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -125.02 3.51 8.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.931 2.092 . . . . 0.0 112.687 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.02 -173.19 4.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.47 0.708 . . . . 0.0 112.686 -168.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -60.3 -60.93 3.03 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.122 0.569 . . . . 0.0 112.268 162.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.28 -107.51 1.63 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.546 0.823 0 C-N-CA 126.639 1.976 . . . . 0.0 111.556 165.848 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.554 1.098 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.4 37.48 1.84 Allowed Glycine 0 N--CA 1.476 1.308 0 C-N-CA 125.763 1.649 . . . . 0.0 113.339 -169.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.13 -134.25 2.62 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.739 1.638 . . . . 0.0 110.731 -164.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.6 m -51.47 -26.81 8.9 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 174.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -56.6 -38.98 72.77 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 171.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.58 -19.94 62.75 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.48 -0.772 . . . . 0.0 112.124 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.9 66.17 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.84 1.2 . . . . 0.0 113.193 172.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.79 -34.25 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.399 1.479 . . . . 0.0 111.613 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -76.79 -36.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.944 0.898 . . . . 0.0 112.966 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.1 m -55.51 -48.8 74.06 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 126.127 1.771 . . . . 0.0 113.912 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -30.63 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 O-C-N 121.514 -0.741 . . . . 0.0 112.96 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.42 -49.92 75.65 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.283 0.3 OUTLIER -67.31 -30.49 70.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -170.835 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.292 29.1 p90 -84.98 -32.4 23.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 171.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -56.23 -35.48 67.4 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.386 -0.821 . . . . 0.0 112.431 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -76.13 -41.28 50.58 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.612 1.565 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -34.7 65.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.641 1.976 . . . . 0.0 112.474 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -80.98 -46.06 15.66 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.987 . . . . 0.0 111.56 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 t -58.31 -23.28 56.0 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 -164.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.63 -48.81 39.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.45 -10.45 51.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.279 1.832 . . . . 0.0 113.863 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.75 -168.99 1.42 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.982 1.313 . . . . 0.0 112.35 -159.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -71.67 -43.83 65.33 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.74 -128.5 39.89 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 125.62 1.581 . . . . 0.0 116.208 167.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 N--CA 1.488 1.47 0 C-N-CA 128.279 2.632 . . . . 0.0 111.71 177.175 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.446 HD21 ' H ' ' A' ' 5' ' ' LEU . 1.1 pt? . . . . . 0 CA--C 1.552 1.054 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.23 5.83 1.93 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.651 1.596 . . . . 0.0 114.32 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.77 -141.32 3.43 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.701 1.143 . . . . 0.0 111.57 163.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -55.02 -10.45 0.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 117.709 2.485 . . . . 0.0 117.709 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -58.06 -42.6 85.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.155 0.978 . . . . 0.0 112.869 165.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.66 -21.61 62.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.156 0.983 . . . . 0.0 112.69 -167.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.03 -27.93 21.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.292 1.437 . . . . 0.0 113.452 168.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mt -84.51 -30.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.563 1.145 . . . . 0.0 111.769 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.36 -36.94 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.735 1.214 . . . . 0.0 113.336 167.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 m -55.82 -52.83 62.64 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.076 1.35 . . . . 0.0 113.61 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.15 -34.08 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.01 -29.7 70.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.784 0.834 . . . . 0.0 111.905 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.26 0.3 OUTLIER -89.68 -29.88 18.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.103 1.361 . . . . 0.0 113.925 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.317 23.3 p90 -88.3 -41.82 12.64 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -3.89 11.47 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-O 122.232 1.015 . . . . 0.0 113.391 -173.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -59.84 -35.82 75.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.824 2.45 . . . . 0.0 112.841 162.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -25.91 67.73 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.612 1.165 . . . . 0.0 113.5 169.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -80.96 -44.97 17.37 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.549 -0.72 . . . . 0.0 111.204 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.1 t -53.11 -24.36 10.13 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -168.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -78.48 -29.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 120.385 -1.447 . . . . 0.0 113.446 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -110.28 -3.04 16.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.87 -171.32 2.44 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.06 0.944 . . . . 0.0 112.871 -163.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -65.88 -53.33 41.08 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.817 1.247 . . . . 0.0 113.76 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 -139.33 37.44 Favored Glycine 0 N--CA 1.474 1.218 0 C-N-CA 124.035 0.826 . . . . 0.0 114.281 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.668 0 C-N-CA 124.661 1.184 . . . . 0.0 113.736 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 111.303 0.112 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.09 89.38 0.14 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 107.233 -2.347 . . . . 0.0 107.233 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.87 -155.17 20.25 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.382 0.991 . . . . 0.0 110.975 -160.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.5 m -47.67 -24.49 0.93 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -53.62 -38.67 64.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.434 1.094 . . . . 0.0 113.408 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.73 -18.69 64.29 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.122 -0.986 . . . . 0.0 113.041 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.13 -32.89 70.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.5 1.045 . . . . 0.0 111.843 173.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -73.75 -37.43 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.78 1.232 . . . . 0.0 111.226 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -70.42 -42.62 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.487 1.115 . . . . 0.0 111.894 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -54.89 -52.95 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.911 1.285 . . . . 0.0 113.422 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.6 p -68.04 -30.75 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.87 -46.29 85.58 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 168.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.266 0.4 OUTLIER -68.53 -31.54 70.85 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 24.5 p90 -88.58 -33.75 17.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.564 0.62 . . . . 0.0 111.676 175.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -60.76 -38.82 86.51 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.749 -1.219 . . . . 0.0 112.694 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -72.99 -41.95 63.78 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.662 1.185 . . . . 0.0 111.649 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -27.61 53.93 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.317 1.847 . . . . 0.0 113.592 166.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.5 t -91.39 -44.48 9.12 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.461 ' HB2' ' H ' ' A' ' 29' ' ' ILE . 1.6 t -64.33 -14.38 55.84 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -160.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.94 -31.72 48.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 126.897 2.079 . . . . 0.0 114.983 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -120.3 -0.3 10.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.349 1.46 . . . . 0.0 112.493 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.47 -166.38 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.169 1.388 . . . . 0.0 112.197 -166.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -72.57 -57.38 4.19 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.212 1.005 . . . . 0.0 111.759 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.29 -113.61 5.62 Favored Glycine 0 CA--C 1.542 1.719 0 O-C-N 121.088 -1.008 . . . . 0.0 113.653 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.461 ' H ' ' HB2' ' A' ' 23' ' ' SER . 78.4 mt . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 128.166 2.586 . . . . 0.0 112.991 171.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 CA--C 1.553 1.084 0 CA-C-O 119.185 -0.436 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.19 2.82 0.85 Allowed Glycine 0 CA--C 1.542 1.765 0 CA-C-N 120.121 1.328 . . . . 0.0 116.011 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.03 -138.25 1.86 Allowed Glycine 0 CA--C 1.537 1.44 0 CA-C-N 118.905 1.353 . . . . 0.0 113.235 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.9 m -46.95 -24.89 0.68 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.007 1.723 . . . . 0.0 115.543 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -43.29 67.45 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 169.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.84 -19.19 64.25 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.106 0.962 . . . . 0.0 112.645 -169.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.77 -20.85 53.41 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.71 1.204 . . . . 0.0 113.281 168.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.43 -44.87 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.264 -0.898 . . . . 0.0 110.319 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.54 -40.95 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.635 0.774 . . . . 0.0 112.963 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -55.16 -59.63 4.5 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.269 1.028 . . . . 0.0 113.357 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 9.6 p -63.62 -32.6 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.43 -48.36 80.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.286 0.5 OUTLIER -70.06 -24.3 63.22 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 117.688 -1.149 . . . . 0.0 113.638 -169.378 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 29.2 p90 -95.74 -40.08 9.55 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 172.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -64.3 -32.58 74.24 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.478 -1.389 . . . . 0.0 111.759 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -64.91 -48.41 74.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.716 1.206 . . . . 0.0 111.876 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -35.07 29.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.209 1.804 . . . . 0.0 112.639 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t -84.58 -35.22 22.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 0.0 112.013 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 t -59.42 -18.33 38.24 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -170.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -62.48 -61.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 120.975 -1.078 . . . . 0.0 113.432 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -88.54 -8.27 55.07 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.91 -173.42 4.57 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.02 0.928 . . . . 0.0 113.067 -161.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.33 -44.58 87.35 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.47 -117.24 6.14 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.18 0.895 . . . . 0.0 113.314 172.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mt . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 128.126 2.571 . . . . 0.0 114.691 178.607 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 119.118 -0.467 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.68 -0.42 1.78 Allowed Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.058 1.314 . . . . 0.0 115.194 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.07 -131.77 0.77 Allowed Glycine 0 CA--C 1.538 1.49 0 CA-C-N 119.216 1.508 . . . . 0.0 113.781 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -53.56 -25.69 18.23 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 174.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -54.02 -42.87 69.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.466 1.106 . . . . 0.0 113.556 171.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.19 -23.99 63.99 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.228 -0.92 . . . . 0.0 112.204 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -16.82 61.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.426 1.091 . . . . 0.0 113.829 170.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.09 -45.76 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 109.665 170.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.76 -42.23 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.7 m -51.85 -60.22 3.43 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 113.179 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.32 -27.05 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.46 -40.79 97.77 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.867 167.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -42.75 12.56 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -166.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -78.99 -31.08 44.72 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.409 1.459 . . . . 0.0 109.519 -173.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 m -58.07 -28.0 64.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 113.157 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.98 -51.35 18.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.922 0.889 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -33.9 45.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.965 1.706 . . . . 0.0 112.748 169.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -88.96 -19.44 25.73 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -7.6 4.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.931 1.692 . . . . 0.0 114.667 -170.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.27 -41.69 20.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 126.558 1.943 . . . . 0.0 113.578 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -97.59 -1.23 44.29 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.307 1.843 . . . . 0.0 113.704 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.82 -179.14 7.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.736 0.815 . . . . 0.0 112.558 -165.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.92 -43.22 86.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.88 0.872 . . . . 0.0 112.293 166.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.24 -107.04 0.5 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 126.574 2.035 . . . . 0.0 113.608 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--O 1.238 0.468 0 C-N-CA 127.016 2.126 . . . . 0.0 111.611 -175.303 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 CA--C 1.545 0.759 0 CA-C-O 119.119 -0.467 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.81 9.72 1.61 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-N 119.483 1.038 . . . . 0.0 115.418 -172.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.5 -132.4 1.38 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.514 1.53 . . . . 0.0 113.348 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.1 m -49.06 -28.39 4.06 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -54.41 -43.18 71.28 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.493 1.517 . . . . 0.0 113.77 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.7 tp -68.87 -26.66 65.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.311 -0.868 . . . . 0.0 112.367 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.5 -22.24 64.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.127 0.971 . . . . 0.0 112.859 172.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.0 -39.85 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 118.695 0.679 . . . . 0.0 111.255 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.21 -42.8 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.9 0.88 . . . . 0.0 112.893 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -54.7 -49.85 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.0 p -72.6 -32.42 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.33 -45.34 94.84 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.8 OUTLIER -74.56 -18.91 60.51 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -166.006 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 25.0 p90 -98.29 -35.28 10.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.909 0.777 . . . . 0.0 111.281 169.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 m -59.59 -37.33 78.25 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.931 -1.106 . . . . 0.0 112.988 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -68.77 -45.39 71.49 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.674 1.189 . . . . 0.0 111.974 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -35.98 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.516 1.926 . . . . 0.0 112.632 170.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 t -72.57 -40.17 66.82 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.924 0.89 . . . . 0.0 111.556 -176.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -66.41 -2.06 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -161.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.4 -36.95 7.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 125.984 1.714 . . . . 0.0 114.085 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -100.1 -3.43 31.88 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.028 1.731 . . . . 0.0 113.61 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.37 -173.33 2.78 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.364 2.266 . . . . 0.0 110.27 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.79 -51.78 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.874 -1.141 . . . . 0.0 113.356 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.55 -109.74 3.08 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 119.405 1.002 . . . . 0.0 114.36 167.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.0 mt . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 127.306 2.243 . . . . 0.0 113.412 177.559 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.03 69.46 0.38 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 -145.68 4.33 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.108 1.337 . . . . 0.0 110.518 -168.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.5 m -53.84 -23.92 13.97 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 167.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -52.25 -36.24 51.96 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 173.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.74 -21.9 66.64 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.154 -0.966 . . . . 0.0 112.719 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.3 67.31 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.821 1.191 . . . . 0.0 112.925 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.05 -34.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.006 1.322 . . . . 0.0 111.51 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 t -74.94 -38.54 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.876 1.271 . . . . 0.0 112.502 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -56.85 -53.93 52.24 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 126.465 1.906 . . . . 0.0 113.133 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 p -62.47 -32.45 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 121.266 -0.896 . . . . 0.0 113.098 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.29 -14.28 61.28 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.623 1.169 . . . . 0.0 113.302 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 0.3 OUTLIER -94.27 -43.24 8.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.013 1.325 . . . . 0.0 113.352 175.122 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -87.66 -29.24 21.31 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.341 1.428 . . . . 0.0 110.554 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -57.97 -23.92 55.86 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -75.95 -50.58 14.54 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.461 1.504 . . . . 0.0 112.08 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.85 64.91 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.979 1.712 . . . . 0.0 111.629 162.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -85.92 7.91 22.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.693 0.797 . . . . 0.0 112.292 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -112.22 21.14 16.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.568 2.347 . . . . 0.0 111.435 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.86 -75.43 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.196 1.798 . . . . 0.0 108.137 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -87.25 8.17 25.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.332 1.853 . . . . 0.0 113.898 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.73 178.93 8.86 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.193 1.797 . . . . 0.0 110.807 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.26 -55.2 8.55 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.92 -97.49 0.43 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.318 0.961 . . . . 0.0 115.301 171.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 126.494 1.917 . . . . 0.0 111.861 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.549 0.911 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.86 3.82 2.61 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.196 1.379 . . . . 0.0 115.171 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 -137.52 2.54 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.333 1.92 . . . . 0.0 113.873 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.98 -25.39 8.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.57 1.548 . . . . 0.0 114.466 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -53.35 -42.81 67.17 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 170.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.86 -22.65 65.11 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.07 -1.019 . . . . 0.0 112.49 -171.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -13.31 57.47 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.431 1.092 . . . . 0.0 113.784 170.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.83 -33.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.224 0.92 . . . . 0.0 111.608 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.52 -39.31 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.862 0.865 . . . . 0.0 112.097 168.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -49.43 -56.47 9.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 113.795 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.409 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 10.6 p -66.81 -31.19 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.78 -50.12 68.03 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 166.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.251 0.5 OUTLIER -68.21 -32.22 72.29 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -168.336 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 23.5 p90 -85.02 -35.03 22.19 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.948 0.795 . . . . 0.0 112.871 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 m -56.85 -39.92 75.14 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.163 -0.961 . . . . 0.0 112.178 173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.25 -44.02 66.11 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.141 1.376 . . . . 0.0 111.806 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -34.04 65.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.866 1.266 . . . . 0.0 112.297 168.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 t -83.55 -40.34 19.25 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.077 0.951 . . . . 0.0 111.948 -171.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -57.03 -26.19 59.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -167.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.14 -40.36 44.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.335 1.454 . . . . 0.0 114.512 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -97.69 -6.03 33.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.664 1.585 . . . . 0.0 114.047 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.17 -156.24 0.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.789 1.235 . . . . 0.0 112.558 -163.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.46 -55.31 5.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.156 1.383 . . . . 0.0 112.953 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.25 -116.56 9.03 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.715 1.626 . . . . 0.0 112.968 174.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 126.226 1.81 . . . . 0.0 113.653 176.172 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.555 1.144 0 CA-C-O 121.037 0.446 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.96 70.32 0.51 Allowed Glycine 0 C--N 1.337 0.612 0 C-N-CA 127.383 2.42 . . . . 0.0 108.861 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.18 -139.62 3.52 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.183 0.897 . . . . 0.0 111.572 -162.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 m -54.48 -18.4 4.23 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -62.55 -37.35 85.81 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 171.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.92 -21.19 66.78 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.059 -1.026 . . . . 0.0 112.586 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.41 66.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.29 -42.41 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.973 0.909 . . . . 0.0 110.853 169.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.72 -45.78 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.614 1.165 . . . . 0.0 113.199 -177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -55.52 -57.36 12.22 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.611 1.165 . . . . 0.0 113.151 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.32 -31.54 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.41 -47.68 80.96 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.5 OUTLIER -69.0 -32.87 72.72 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.762 -169.238 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -85.27 -33.99 22.03 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.3 m -55.02 -42.31 72.4 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.844 -1.16 . . . . 0.0 112.879 173.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.61 -36.73 60.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.139 1.375 . . . . 0.0 112.408 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -42.48 69.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.29 1.836 . . . . 0.0 112.192 161.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -80.59 -39.95 26.64 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.182 -0.949 . . . . 0.0 112.236 -169.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -64.82 -10.39 27.71 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -167.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.15 -48.54 48.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.32 -0.49 28.15 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.664 1.585 . . . . 0.0 113.057 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.19 -164.34 1.83 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.041 1.337 . . . . 0.0 111.809 -169.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -72.83 -57.46 4.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.293 1.037 . . . . 0.0 111.288 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.91 -110.67 3.61 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.063 1.792 . . . . 0.0 112.471 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.8 mt . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 126.736 2.015 . . . . 0.0 112.055 172.764 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.055 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.49 44.05 1.21 Allowed Glycine 0 N--CA 1.473 1.121 0 C-N-CA 127.156 2.313 . . . . 0.0 110.957 -175.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.11 -133.05 1.61 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.922 1.725 . . . . 0.0 110.364 -165.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -49.47 -23.66 1.66 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -60.86 -40.73 94.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 171.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.45 -27.89 68.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.307 1.043 . . . . 0.0 112.041 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.75 70.51 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.94 0.896 . . . . 0.0 112.559 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.54 -37.55 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.222 1.409 . . . . 0.0 111.443 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -68.56 -45.65 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.923 0.889 . . . . 0.0 112.475 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.067 1.347 . . . . 0.0 113.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.421 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 7.8 p -67.41 -32.65 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.21 -46.58 86.32 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 168.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.91 -36.4 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.122 -0.986 . . . . 0.0 113.364 -164.499 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 11.8 p90 -84.1 -29.45 26.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.043 0.838 . . . . 0.0 109.756 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -67.48 -31.23 71.24 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.008 -1.058 . . . . 0.0 112.005 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -83.62 -38.62 21.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.56 1.144 . . . . 0.0 112.236 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -34.68 28.46 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.933 1.293 . . . . 0.0 112.542 165.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.0 p -93.78 1.29 56.52 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.521 1.528 . . . . 0.0 114.829 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -79.11 -14.55 59.06 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.93 -38.92 50.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 O-C-N 120.753 -1.217 . . . . 0.0 114.239 -155.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -125.04 14.19 8.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.508 1.523 . . . . 0.0 111.336 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.53 173.33 14.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.006 0.922 . . . . 0.0 113.16 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -59.67 -44.81 93.45 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.834 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -105.39 1.16 Allowed Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.6 1.572 . . . . 0.0 112.142 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 128.275 2.63 . . . . 0.0 114.272 174.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 119.419 -0.324 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.06 97.92 0.18 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 -144.18 8.82 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -158.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.29 -18.87 11.9 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -57.15 -35.96 70.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 169.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.49 -21.54 65.57 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.58 -0.7 . . . . 0.0 112.432 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.81 67.88 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.182 0.901 . . . . 0.0 113.356 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -79.27 -38.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.261 1.024 . . . . 0.0 111.476 173.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.86 -45.69 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.976 1.31 . . . . 0.0 113.269 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -52.61 -53.71 43.08 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.207 1.403 . . . . 0.0 112.698 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.99 -32.38 57.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.56 -46.22 86.89 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.852 0.751 . . . . 0.0 109.399 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.281 0.5 OUTLIER -72.67 -19.64 61.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.306 24.3 p90 -94.55 -33.95 12.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 164.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 m -53.36 -38.8 63.65 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.004 -1.06 . . . . 0.0 113.006 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -74.86 -43.83 52.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.205 1.002 . . . . 0.0 110.7 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -30.74 54.42 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.504 1.921 . . . . 0.0 113.852 167.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 t -79.91 -40.34 28.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.086 0.954 . . . . 0.0 112.106 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -65.75 -7.78 17.62 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -162.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -31.87 6.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 126.742 2.017 . . . . 0.0 113.698 174.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -98.89 -12.77 20.43 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.745 1.218 . . . . 0.0 113.277 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.01 -165.39 1.35 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.694 1.198 . . . . 0.0 111.73 -162.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -72.03 -55.25 7.72 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.674 0.79 . . . . 0.0 111.666 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.22 -112.98 5.45 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.043 0.83 . . . . 0.0 112.533 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 128.668 2.787 . . . . 0.0 113.875 175.078 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.81 -1.48 0.28 Allowed Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.408 1.48 . . . . 0.0 115.336 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 -137.12 2.23 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.718 1.628 . . . . 0.0 112.031 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 m -52.78 -20.0 2.89 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -54.75 -40.38 69.27 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.262 0.937 . . . . 0.0 113.142 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -68.39 -21.56 64.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.057 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -22.95 63.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.279 1.032 . . . . 0.0 112.819 169.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.19 -42.67 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.426 -0.796 . . . . 0.0 110.293 173.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.04 -39.73 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.588 -0.695 . . . . 0.0 112.426 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.8 m -53.26 -56.3 17.64 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.4 p -66.59 -32.9 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.79 -47.11 84.88 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -31.5 68.82 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -166.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 10.5 p90 -90.54 -30.01 17.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.443 0.565 . . . . 0.0 110.462 177.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -61.08 -37.1 81.51 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.906 -1.121 . . . . 0.0 112.437 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -70.52 -47.04 62.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.784 1.234 . . . . 0.0 111.325 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -36.58 50.76 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.527 1.531 . . . . 0.0 112.644 167.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -89.35 -19.27 25.46 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.2 t -59.27 -17.15 26.12 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -72.8 -62.12 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.209 1.404 . . . . 0.0 113.966 164.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -77.61 -8.6 58.12 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.22 -179.18 7.83 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.559 1.544 . . . . 0.0 111.461 -167.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -57.17 -47.7 80.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.1 -122.05 20.33 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 125.269 1.414 . . . . 0.0 113.365 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 N--CA 1.467 0.41 0 C-N-CA 128.527 2.731 . . . . 0.0 113.515 -174.702 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.551 0.997 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.23 62.02 0.48 Allowed Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.686 1.612 . . . . 0.0 109.591 -170.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 -130.34 1.28 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -161.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.57 -31.22 23.77 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -53.94 -37.94 64.39 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.8 -26.99 69.0 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.184 -0.948 . . . . 0.0 111.899 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.51 72.24 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.815 0.734 . . . . 0.0 112.666 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.68 -44.31 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.484 1.514 . . . . 0.0 111.302 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.55 -45.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.314 1.446 . . . . 0.0 111.013 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.86 -54.16 50.28 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 125.973 1.709 . . . . 0.0 113.643 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.89 -34.44 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 O-C-N 121.346 -0.846 . . . . 0.0 113.183 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 tp -67.42 -37.25 82.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.029 0.532 . . . . 0.0 109.857 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.265 0.3 OUTLIER -69.27 -42.09 76.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.996 -1.065 . . . . 0.0 112.299 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -83.47 -31.85 26.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -57.0 -36.24 70.16 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.136 -0.978 . . . . 0.0 113.081 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -74.22 -42.24 60.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.429 1.492 . . . . 0.0 111.907 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.97 70.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.987 1.715 . . . . 0.0 112.54 167.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -80.68 -41.85 23.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.177 0.991 . . . . 0.0 110.914 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t -67.62 3.64 1.33 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -165.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.56 -43.6 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 126.958 2.103 . . . . 0.0 112.654 171.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -93.74 -7.84 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.484 1.914 . . . . 0.0 113.127 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.42 -174.13 3.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.169 2.188 . . . . 0.0 110.551 -167.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -64.16 -50.07 69.6 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.004 0.922 . . . . 0.0 112.554 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.69 -126.24 38.83 Favored Glycine 0 CA--C 1.539 1.536 0 O-C-N 121.647 -0.658 . . . . 0.0 112.319 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 127.383 2.273 . . . . 0.0 113.174 176.615 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 ttp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.0 mtp-105 -45.93 124.68 5.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.223 1.809 . . . . 0.0 115.191 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -90.25 -9.14 49.1 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.136 1.902 . . . . 0.0 116.136 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -91.78 149.95 21.34 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.405 1.082 . . . . 0.0 112.095 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.06 -140.64 0.09 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.109 0.964 . . . . 0.0 112.845 -167.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.28 104.5 0.27 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 106.38 -2.688 . . . . 0.0 106.38 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.63 -153.12 18.09 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -159.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m -54.79 -21.04 9.88 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 165.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.1 -35.51 62.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.877 1.271 . . . . 0.0 113.152 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -21.67 66.39 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.555 -0.716 . . . . 0.0 112.504 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.46 67.3 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.737 1.153 . . . . 0.0 113.375 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -78.38 -38.13 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.566 1.146 . . . . 0.0 111.25 172.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.72 -47.95 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.299 1.44 . . . . 0.0 112.79 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.0 m -52.44 -53.65 42.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.123 1.369 . . . . 0.0 113.855 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.58 -35.06 74.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 tp -63.77 -45.79 88.21 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.273 0.4 OUTLIER -70.14 -24.62 63.2 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.228 -0.891 . . . . 0.0 113.363 -171.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.258 25.5 p90 -90.84 -33.65 15.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 167.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 m -55.57 -45.88 77.27 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.005 -1.059 . . . . 0.0 111.943 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -69.16 -46.51 67.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.534 1.134 . . . . 0.0 110.882 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.54 -34.9 27.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.951 2.501 . . . . 0.0 113.686 169.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -85.75 -39.12 17.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 112.564 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.431 ' HB2' ' H ' ' A' ' 29' ' ' ILE . 3.9 t -65.5 -13.12 58.16 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 -161.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -72.04 -41.55 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -104.01 -12.08 17.01 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.456 1.903 . . . . 0.0 113.24 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.45 -171.13 3.81 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.65 1.58 . . . . 0.0 110.78 -164.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -71.56 -55.71 7.28 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.228 -0.92 . . . . 0.0 111.591 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -110.01 3.21 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 123.748 0.69 . . . . 0.0 112.958 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.431 ' H ' ' HB2' ' A' ' 23' ' ' SER . 64.5 mt -42.48 136.74 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.053 1.741 . . . . 0.0 110.811 164.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.6 tttp . . . . . 0 C--O 1.254 1.303 0 CA-C-O 116.706 -1.616 . . . . 0.0 112.031 -166.685 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.0 mtm . . . . . 0 N--CA 1.476 0.86 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -148.33 145.68 28.23 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.567 1.547 . . . . 0.0 112.269 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -84.44 -9.74 58.12 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.932 1.293 . . . . 0.0 113.678 163.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -102.14 153.43 19.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.966 1.707 . . . . 0.0 112.416 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.84 -151.16 0.34 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.856 1.662 . . . . 0.0 110.467 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.14 62.58 0.53 Allowed Glycine 0 N--CA 1.467 0.751 0 C-N-CA 126.356 1.931 . . . . 0.0 109.085 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.87 -134.09 1.59 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.891 1.71 . . . . 0.0 110.807 -166.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.8 m -52.27 -27.88 16.73 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.356 1.614 . . . . 0.0 115.356 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.65 -36.45 62.09 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.2 mt -65.51 -22.89 66.77 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.518 -0.738 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -27.61 68.69 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.413 1.006 . . . . 0.0 112.868 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.75 -44.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 110.951 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.77 -42.97 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.511 1.124 . . . . 0.0 113.144 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.5 m -53.05 -57.94 8.69 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 125.442 1.497 . . . . 0.0 113.192 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.31 -27.48 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 120.878 -1.139 . . . . 0.0 113.102 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 tp -75.24 -14.29 60.51 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.215 1.006 . . . . 0.0 113.357 172.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.01 -46.71 4.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 113.82 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -79.33 -24.46 42.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.895 -1.128 . . . . 0.0 111.155 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m -54.53 -31.56 56.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.416 1.086 . . . . 0.0 113.482 167.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -78.2 -41.19 35.28 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.734 1.213 . . . . 0.0 111.339 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.11 -44.92 71.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.2 1.4 . . . . 0.0 112.459 159.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -82.77 -21.99 34.45 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -167.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -12.87 11.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.002 1.721 . . . . 0.0 114.706 -171.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.3 m -75.29 -33.02 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.716 1.607 . . . . 0.0 114.242 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -113.0 4.62 16.82 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.538 1.535 . . . . 0.0 112.648 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.72 177.66 10.23 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -168.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -53.5 -45.74 69.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.024 1.33 . . . . 0.0 113.558 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.18 -108.16 0.52 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.11 1.338 . . . . 0.0 114.351 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.62 146.18 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 126.737 2.015 . . . . 0.0 112.404 -175.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp . . . . . 0 C--O 1.253 1.252 0 C-N-CA 127.482 2.313 . . . . 0.0 113.665 175.182 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 119.426 -0.321 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -60.21 132.02 52.63 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.275 0.63 . . . . 0.0 111.618 168.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -70.79 -11.58 61.04 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -125.1 159.18 32.04 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.787 1.635 . . . . 0.0 111.232 -170.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -158.29 -143.63 0.11 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.926 1.29 . . . . 0.0 111.285 -173.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.72 68.03 0.42 Allowed Glycine 0 N--CA 1.465 0.604 0 C-N-CA 125.924 1.725 . . . . 0.0 109.369 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.21 -146.93 5.23 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.929 1.252 . . . . 0.0 110.847 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.9 m -57.93 -10.36 1.74 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.02 -40.51 73.51 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.096 -1.003 . . . . 0.0 112.809 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.92 -11.04 54.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.844 -1.074 . . . . 0.0 113.347 177.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -18.38 61.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.996 1.726 . . . . 0.0 113.023 170.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.19 -37.7 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.331 1.452 . . . . 0.0 111.455 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 t -77.29 -36.08 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.301 1.441 . . . . 0.0 113.485 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.5 m -51.47 -50.45 59.81 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.627 1.571 . . . . 0.0 114.086 -178.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.92 -30.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.66 -30.81 69.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.953 0.901 . . . . 0.0 111.842 167.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.264 0.3 OUTLIER -86.8 -36.74 18.37 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -176.031 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.251 25.0 p90 -77.46 -40.1 44.39 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.052 1.296 . . . . 0.0 113.605 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -56.36 -9.66 0.74 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.215 1.806 . . . . 0.0 115.194 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -69.12 -43.25 74.82 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.301 2.241 . . . . 0.0 111.443 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.02 54.67 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.186 1.794 . . . . 0.0 113.866 173.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -85.86 -39.61 16.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.694 1.597 . . . . 0.0 111.756 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.5 p -61.47 -13.6 22.01 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -165.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 m -89.6 -40.59 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 125.813 1.645 . . . . 0.0 112.347 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -95.38 -5.24 43.74 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.031 1.732 . . . . 0.0 113.565 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.67 -165.69 1.2 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.161 1.784 . . . . 0.0 111.857 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.53 -44.87 33.18 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.896 0.878 . . . . 0.0 112.036 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.08 -124.77 33.06 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.043 0.83 . . . . 0.0 113.051 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.59 154.17 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.555 1.542 . . . . 0.0 114.116 175.392 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 C--O 1.256 1.433 0 C-N-CA 124.53 1.132 . . . . 0.0 112.186 175.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 ttp . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -81.34 148.22 29.47 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.198 1.799 . . . . 0.0 112.222 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -78.51 -18.96 53.99 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.597 1.559 . . . . 0.0 112.593 166.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -108.34 154.16 22.23 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.4 1.88 . . . . 0.0 113.829 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -163.49 -138.19 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.653 1.981 . . . . 0.0 109.514 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.5 -3.5 0.72 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 116.614 1.405 . . . . 0.0 116.614 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.97 -119.21 1.67 Allowed Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.769 1.285 . . . . 0.0 113.631 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m -53.63 -26.94 24.38 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 172.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.67 -40.92 66.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 113.313 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.62 -18.57 62.87 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.8 -1.188 . . . . 0.0 112.752 -173.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.26 58.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.889 0.876 . . . . 0.0 112.596 169.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.83 -37.98 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.492 0.717 . . . . 0.0 110.886 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -70.07 -34.43 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.168 0.987 . . . . 0.0 113.027 172.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 m -55.41 -51.75 65.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.39 -31.64 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.35 -49.72 76.46 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.304 0.4 OUTLIER -68.6 -26.61 65.46 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -169.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.27 23.7 p90 -90.63 -33.79 15.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 m -55.78 -37.48 68.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.843 -1.161 . . . . 0.0 112.184 174.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.34 -45.17 81.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.2 1.4 . . . . 0.0 111.606 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -33.64 66.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 113.464 171.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.2 t -80.84 -35.36 32.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.117 0.967 . . . . 0.0 112.414 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -65.88 -5.17 8.35 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -167.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.75 -43.52 69.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 120.208 -1.558 . . . . 0.0 114.445 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -109.2 -2.17 18.18 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.692 1.197 . . . . 0.0 112.963 -178.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.27 -171.32 3.56 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.609 1.164 . . . . 0.0 111.874 -163.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -65.72 -57.13 8.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.95 -106.02 1.0 Allowed Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.979 0.8 . . . . 0.0 112.046 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.9 mt -38.22 126.41 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 127.885 2.474 . . . . 0.0 112.423 168.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp . . . . . 0 C--O 1.248 0.976 0 C-N-CA 125.914 1.686 . . . . 0.0 111.47 -178.807 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.8 tpp . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -86.3 121.73 29.29 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.268 1.027 . . . . 0.0 110.831 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -93.14 24.56 3.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.396 1.878 . . . . 0.0 113.751 -166.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -113.69 137.65 51.31 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.35 1.06 . . . . 0.0 112.477 -166.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.85 -139.46 0.08 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.121 2.168 . . . . 0.0 109.222 -171.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.36 -10.22 1.94 Allowed Glycine 0 N--CA 1.477 1.41 0 CA-C-N 121.144 1.793 . . . . 0.0 115.953 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -139.75 2.1 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.945 1.259 . . . . 0.0 113.538 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 m -52.37 -16.23 0.82 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -53.18 -42.63 66.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.24 0.927 . . . . 0.0 113.379 163.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.53 -16.08 63.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.9 1.28 . . . . 0.0 113.578 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.72 -24.03 65.36 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 113.021 166.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.95 -36.54 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.656 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.1 -40.94 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.973 0.909 . . . . 0.0 111.578 172.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.03 -53.91 36.26 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.456 1.102 . . . . 0.0 113.481 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.85 -22.94 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.04 -50.85 60.62 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.501 -0.749 . . . . 0.0 109.631 160.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -36.51 78.37 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -164.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -85.05 -30.48 24.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.043 0.838 . . . . 0.0 110.88 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -60.13 -36.44 77.5 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.031 -1.043 . . . . 0.0 112.686 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -67.19 -47.35 71.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.007 1.323 . . . . 0.0 110.983 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -34.98 64.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.059 1.744 . . . . 0.0 113.257 168.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -91.14 -23.62 20.22 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.5 t -62.54 -7.91 5.44 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -173.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -80.28 -34.83 15.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 126.396 1.878 . . . . 0.0 114.288 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -107.49 3.0 24.58 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.496 1.918 . . . . 0.0 113.289 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.47 -177.57 5.35 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.73 1.612 . . . . 0.0 111.47 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -61.24 -52.19 65.78 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.006 -1.059 . . . . 0.0 111.357 167.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.39 -97.18 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.517 2.008 . . . . 0.0 113.095 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.2 mt -49.97 142.76 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.228 1.811 . . . . 0.0 112.385 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.301 1.44 . . . . 0.0 113.089 177.632 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 tpp . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.179 0.038 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -54.03 144.59 18.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.315 1.446 . . . . 0.0 112.318 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -88.27 129.42 35.37 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.533 1.533 . . . . 0.0 110.84 176.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.6 m170 57.88 58.33 3.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.962 1.705 . . . . 0.0 114.477 173.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.452 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -70.29 -137.66 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 127.559 2.344 . . . . 0.0 113.815 177.56 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.85 4.29 1.87 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.583 1.564 . . . . 0.0 114.895 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.49 -137.85 3.29 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.282 1.42 . . . . 0.0 112.057 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.5 -20.97 3.27 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -56.02 -41.93 75.68 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 168.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.74 -20.36 65.23 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.819 -1.175 . . . . 0.0 112.789 -172.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -21.51 64.71 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.287 1.035 . . . . 0.0 113.366 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.71 -41.97 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 121.378 -0.826 . . . . 0.0 110.297 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.18 -36.9 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.615 1.166 . . . . 0.0 112.137 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.46 -58.31 7.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 124.785 1.234 . . . . 0.0 113.475 174.116 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.967 -1.083 . . . . 0.0 112.043 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.35 -20.02 65.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.751 0.82 . . . . 0.0 112.158 171.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.3 OUTLIER -95.15 -38.31 10.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.351 1.46 . . . . 0.0 113.874 175.029 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -93.5 -41.48 9.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.871 1.669 . . . . 0.0 112.93 -174.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -73.28 -18.54 61.2 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.75 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.08 -45.17 43.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 112.495 166.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -29.96 28.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.023 1.729 . . . . 0.0 113.483 168.668 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -78.26 -45.17 23.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.02 1.328 . . . . 0.0 111.268 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -54.35 -15.73 1.8 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 -162.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 m -86.87 -28.86 5.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 126.397 1.879 . . . . 0.0 114.527 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -125.2 6.46 7.82 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 112.499 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.36 176.54 12.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.387 1.075 . . . . 0.0 112.349 -169.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -63.57 -52.23 61.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.898 0.879 . . . . 0.0 111.918 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.22 -129.61 46.0 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.03 0.824 . . . . 0.0 112.305 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.37 145.62 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.305 1.442 . . . . 0.0 114.688 175.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 mttm . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.134 1.774 . . . . 0.0 113.775 -177.469 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 118.774 -0.632 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.9 ttm-85 -45.31 115.61 0.96 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.472 1.509 . . . . 0.0 112.922 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -77.27 -32.06 55.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 -168.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -111.94 172.58 6.82 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.738 1.615 . . . . 0.0 113.977 -169.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -140.87 -146.28 0.19 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.732 2.013 . . . . 0.0 111.191 -160.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.31 64.29 0.29 Allowed Glycine 0 N--CA 1.472 1.053 0 CA-C-N 121.681 2.037 . . . . 0.0 111.723 -160.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.12 -128.47 1.05 Allowed Glycine 0 CA--C 1.537 1.469 0 C-N-CA 123.517 0.58 . . . . 0.0 112.501 -171.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 96.9 m -48.29 -30.12 4.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.186 1.795 . . . . 0.0 114.859 170.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.01 -40.51 85.14 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.62 -14.73 63.21 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.844 -1.16 . . . . 0.0 112.854 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.38 -36.43 61.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.899 0.772 . . . . 0.0 111.746 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.78 -43.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.86 1.264 . . . . 0.0 111.504 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -64.42 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.496 -0.753 . . . . 0.0 111.597 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.4 m -60.99 -51.03 71.0 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.426 1.49 . . . . 0.0 114.359 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.32 -32.32 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.271 -0.893 . . . . 0.0 113.222 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.11 -46.04 90.79 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.2 OUTLIER -64.1 -42.01 97.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.845 -176.171 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.256 11.0 p90 -82.32 -26.45 33.01 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 m -61.1 -46.57 90.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.789 0.836 . . . . 0.0 111.464 169.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -72.31 -37.88 68.83 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.527 1.131 . . . . 0.0 112.086 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -31.68 63.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.931 1.692 . . . . 0.0 113.342 166.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -87.86 -40.18 14.21 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.35 0.66 . . . . 0.0 112.0 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.3 t -62.93 -15.43 55.41 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -166.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.56 -26.17 30.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 120.02 -1.675 . . . . 0.0 115.11 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -125.02 3.51 8.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.931 2.092 . . . . 0.0 112.687 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.02 -173.19 4.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.47 0.708 . . . . 0.0 112.686 -168.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -60.3 -60.93 3.03 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.122 0.569 . . . . 0.0 112.268 162.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.28 -107.51 1.63 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.6 mt -44.4 117.7 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 126.639 1.976 . . . . 0.0 111.556 165.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 tttm . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.426 1.49 . . . . 0.0 111.478 -172.853 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 119.639 -0.22 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -150.67 161.8 41.91 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.243 2.217 . . . . 0.0 110.542 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -69.04 -19.42 64.1 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.894 1.677 . . . . 0.0 114.893 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -71.46 161.84 30.4 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.888 2.075 . . . . 0.0 114.474 -171.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.94 -149.11 0.29 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.347 1.459 . . . . 0.0 112.264 -176.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.4 37.48 1.84 Allowed Glycine 0 N--CA 1.476 1.308 0 C-N-CA 125.763 1.649 . . . . 0.0 113.339 -169.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.13 -134.25 2.62 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.739 1.638 . . . . 0.0 110.731 -164.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.6 m -51.47 -26.81 8.9 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 174.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -56.6 -38.98 72.77 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 171.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.58 -19.94 62.75 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.48 -0.772 . . . . 0.0 112.124 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.9 66.17 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.84 1.2 . . . . 0.0 113.193 172.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.79 -34.25 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.399 1.479 . . . . 0.0 111.613 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -76.79 -36.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.944 0.898 . . . . 0.0 112.966 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.1 m -55.51 -48.8 74.06 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 126.127 1.771 . . . . 0.0 113.912 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -30.63 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 O-C-N 121.514 -0.741 . . . . 0.0 112.96 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.42 -49.92 75.65 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.283 0.3 OUTLIER -67.31 -30.49 70.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -170.835 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.292 29.1 p90 -84.98 -32.4 23.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 171.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -56.23 -35.48 67.4 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.386 -0.821 . . . . 0.0 112.431 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -76.13 -41.28 50.58 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.612 1.565 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -34.7 65.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.641 1.976 . . . . 0.0 112.474 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -80.98 -46.06 15.66 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.987 . . . . 0.0 111.56 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 t -58.31 -23.28 56.0 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 -164.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.63 -48.81 39.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.45 -10.45 51.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.279 1.832 . . . . 0.0 113.863 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.75 -168.99 1.42 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.982 1.313 . . . . 0.0 112.35 -159.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -71.67 -43.83 65.33 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.74 -128.5 39.89 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 125.62 1.581 . . . . 0.0 116.208 167.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt -32.87 114.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 128.279 2.632 . . . . 0.0 111.71 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.7 tttt . . . . . 0 C--O 1.252 1.187 0 CA-C-O 116.838 -1.553 . . . . 0.0 114.403 -158.051 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -56.83 147.99 21.89 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.113 1.765 . . . . 0.0 113.851 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -75.54 -29.29 59.36 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.703 1.201 . . . . 0.0 113.945 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -112.28 68.55 0.67 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.246 2.218 . . . . 0.0 109.807 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.446 HD21 ' H ' ' A' ' 5' ' ' LEU . 1.1 pt? -74.59 -140.07 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.48 1.912 . . . . 0.0 112.794 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.23 5.83 1.93 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.651 1.596 . . . . 0.0 114.32 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.77 -141.32 3.43 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.701 1.143 . . . . 0.0 111.57 163.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -55.02 -10.45 0.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 117.709 2.485 . . . . 0.0 117.709 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -58.06 -42.6 85.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.155 0.978 . . . . 0.0 112.869 165.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.66 -21.61 62.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.156 0.983 . . . . 0.0 112.69 -167.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.03 -27.93 21.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.292 1.437 . . . . 0.0 113.452 168.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mt -84.51 -30.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.563 1.145 . . . . 0.0 111.769 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.36 -36.94 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.735 1.214 . . . . 0.0 113.336 167.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 m -55.82 -52.83 62.64 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.076 1.35 . . . . 0.0 113.61 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.15 -34.08 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.01 -29.7 70.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.784 0.834 . . . . 0.0 111.905 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.26 0.3 OUTLIER -89.68 -29.88 18.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.103 1.361 . . . . 0.0 113.925 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.317 23.3 p90 -88.3 -41.82 12.64 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -3.89 11.47 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-O 122.232 1.015 . . . . 0.0 113.391 -173.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -59.84 -35.82 75.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.824 2.45 . . . . 0.0 112.841 162.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -25.91 67.73 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.612 1.165 . . . . 0.0 113.5 169.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -80.96 -44.97 17.37 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.549 -0.72 . . . . 0.0 111.204 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.1 t -53.11 -24.36 10.13 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -168.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -78.48 -29.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 120.385 -1.447 . . . . 0.0 113.446 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -110.28 -3.04 16.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.87 -171.32 2.44 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.06 0.944 . . . . 0.0 112.871 -163.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -65.88 -53.33 41.08 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.817 1.247 . . . . 0.0 113.76 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 -139.33 37.44 Favored Glycine 0 N--CA 1.474 1.218 0 C-N-CA 124.035 0.826 . . . . 0.0 114.281 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.02 145.21 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.661 1.184 . . . . 0.0 113.736 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.0 tptp . . . . . 0 C--O 1.255 1.366 0 C-N-CA 124.615 1.166 . . . . 0.0 111.99 179.123 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -57.6 126.28 26.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.317 1.047 . . . . 0.0 111.471 170.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -142.22 -15.07 0.78 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -96.0 158.57 15.39 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.577 1.551 . . . . 0.0 111.225 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.21 -145.42 0.11 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.565 1.146 . . . . 0.0 111.303 -170.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.09 89.38 0.14 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 107.233 -2.347 . . . . 0.0 107.233 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.87 -155.17 20.25 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.382 0.991 . . . . 0.0 110.975 -160.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.5 m -47.67 -24.49 0.93 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -53.62 -38.67 64.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.434 1.094 . . . . 0.0 113.408 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.73 -18.69 64.29 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.122 -0.986 . . . . 0.0 113.041 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.13 -32.89 70.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.5 1.045 . . . . 0.0 111.843 173.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -73.75 -37.43 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.78 1.232 . . . . 0.0 111.226 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -70.42 -42.62 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.487 1.115 . . . . 0.0 111.894 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -54.89 -52.95 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.911 1.285 . . . . 0.0 113.422 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.6 p -68.04 -30.75 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.87 -46.29 85.58 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 168.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.266 0.4 OUTLIER -68.53 -31.54 70.85 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.883 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 24.5 p90 -88.58 -33.75 17.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.564 0.62 . . . . 0.0 111.676 175.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -60.76 -38.82 86.51 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.749 -1.219 . . . . 0.0 112.694 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -72.99 -41.95 63.78 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.662 1.185 . . . . 0.0 111.649 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -27.61 53.93 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.317 1.847 . . . . 0.0 113.592 166.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.5 t -91.39 -44.48 9.12 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.461 ' HB2' ' H ' ' A' ' 29' ' ' ILE . 1.6 t -64.33 -14.38 55.84 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -160.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.94 -31.72 48.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 126.897 2.079 . . . . 0.0 114.983 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -120.3 -0.3 10.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.349 1.46 . . . . 0.0 112.493 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.47 -166.38 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.169 1.388 . . . . 0.0 112.197 -166.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -72.57 -57.38 4.19 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.212 1.005 . . . . 0.0 111.759 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.29 -113.61 5.62 Favored Glycine 0 CA--C 1.542 1.719 0 O-C-N 121.088 -1.008 . . . . 0.0 113.653 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.461 ' H ' ' HB2' ' A' ' 23' ' ' SER . 78.4 mt -44.3 133.12 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 128.166 2.586 . . . . 0.0 112.991 171.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.929 1.692 . . . . 0.0 112.822 174.5 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -60.09 131.21 50.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.233 1.013 . . . . 0.0 113.012 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -133.66 -5.02 2.87 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.806 2.042 . . . . 0.0 114.573 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -99.77 156.78 16.92 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.211 1.405 . . . . 0.0 113.009 173.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -161.27 -139.41 0.05 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.206 1.803 . . . . 0.0 110.505 -166.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.19 2.82 0.85 Allowed Glycine 0 CA--C 1.542 1.765 0 CA-C-N 120.121 1.328 . . . . 0.0 116.011 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.03 -138.25 1.86 Allowed Glycine 0 CA--C 1.537 1.44 0 CA-C-N 118.905 1.353 . . . . 0.0 113.235 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.9 m -46.95 -24.89 0.68 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.007 1.723 . . . . 0.0 115.543 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -43.29 67.45 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 169.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.84 -19.19 64.25 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.106 0.962 . . . . 0.0 112.645 -169.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.77 -20.85 53.41 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.71 1.204 . . . . 0.0 113.281 168.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.43 -44.87 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.264 -0.898 . . . . 0.0 110.319 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.54 -40.95 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.635 0.774 . . . . 0.0 112.963 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -55.16 -59.63 4.5 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.269 1.028 . . . . 0.0 113.357 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 9.6 p -63.62 -32.6 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.43 -48.36 80.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.286 0.5 OUTLIER -70.06 -24.3 63.22 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 117.688 -1.149 . . . . 0.0 113.638 -169.378 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 29.2 p90 -95.74 -40.08 9.55 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 172.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -64.3 -32.58 74.24 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.478 -1.389 . . . . 0.0 111.759 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -64.91 -48.41 74.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.716 1.206 . . . . 0.0 111.876 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -35.07 29.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.209 1.804 . . . . 0.0 112.639 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t -84.58 -35.22 22.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 0.0 112.013 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 t -59.42 -18.33 38.24 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -170.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -62.48 -61.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 120.975 -1.078 . . . . 0.0 113.432 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -88.54 -8.27 55.07 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.91 -173.42 4.57 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.02 0.928 . . . . 0.0 113.067 -161.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.33 -44.58 87.35 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.47 -117.24 6.14 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.18 0.895 . . . . 0.0 113.314 172.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mt -39.0 135.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 128.126 2.571 . . . . 0.0 114.691 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 C--O 1.256 1.398 0 C-N-CA 126.418 1.887 . . . . 0.0 110.475 164.461 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.4 mtm . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -149.57 149.44 30.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.972 1.309 . . . . 0.0 112.1 173.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.42 -47.74 82.75 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.871 1.269 . . . . 0.0 113.958 -169.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -96.08 172.46 7.98 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.861 1.664 . . . . 0.0 112.203 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -156.36 -141.1 0.09 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.324 1.45 . . . . 0.0 109.784 -170.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.68 -0.42 1.78 Allowed Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.058 1.314 . . . . 0.0 115.194 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.07 -131.77 0.77 Allowed Glycine 0 CA--C 1.538 1.49 0 CA-C-N 119.216 1.508 . . . . 0.0 113.781 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -53.56 -25.69 18.23 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 174.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -54.02 -42.87 69.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.466 1.106 . . . . 0.0 113.556 171.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.19 -23.99 63.99 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.228 -0.92 . . . . 0.0 112.204 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -16.82 61.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.426 1.091 . . . . 0.0 113.829 170.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.09 -45.76 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 109.665 170.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.76 -42.23 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.7 m -51.85 -60.22 3.43 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 113.179 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.32 -27.05 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.46 -40.79 97.77 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.867 167.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -42.75 12.56 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -166.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -78.99 -31.08 44.72 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.409 1.459 . . . . 0.0 109.519 -173.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 m -58.07 -28.0 64.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 113.157 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.98 -51.35 18.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.922 0.889 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -33.9 45.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.965 1.706 . . . . 0.0 112.748 169.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -88.96 -19.44 25.73 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -173.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -7.6 4.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.931 1.692 . . . . 0.0 114.667 -170.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.27 -41.69 20.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 126.558 1.943 . . . . 0.0 113.578 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -97.59 -1.23 44.29 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.307 1.843 . . . . 0.0 113.704 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.82 -179.14 7.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.736 0.815 . . . . 0.0 112.558 -165.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.92 -43.22 86.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.88 0.872 . . . . 0.0 112.293 166.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.24 -107.04 0.5 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 126.574 2.035 . . . . 0.0 113.608 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.6 mt -50.4 124.59 3.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 127.016 2.126 . . . . 0.0 111.611 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? . . . . . 0 C--O 1.25 1.088 0 C-N-CA 125.618 1.567 . . . . 0.0 111.492 -173.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.23 150.52 39.3 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.926 1.691 . . . . 0.0 111.366 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -147.85 -3.87 0.51 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -170.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -96.46 163.37 13.08 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -167.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -148.01 -151.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.935 2.094 . . . . 0.0 109.882 -166.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.81 9.72 1.61 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-N 119.483 1.038 . . . . 0.0 115.418 -172.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.5 -132.4 1.38 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.514 1.53 . . . . 0.0 113.348 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.1 m -49.06 -28.39 4.06 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -54.41 -43.18 71.28 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.493 1.517 . . . . 0.0 113.77 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.7 tp -68.87 -26.66 65.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.311 -0.868 . . . . 0.0 112.367 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.5 -22.24 64.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.127 0.971 . . . . 0.0 112.859 172.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.0 -39.85 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 118.695 0.679 . . . . 0.0 111.255 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.21 -42.8 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.9 0.88 . . . . 0.0 112.893 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -54.7 -49.85 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.0 p -72.6 -32.42 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.33 -45.34 94.84 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.8 OUTLIER -74.56 -18.91 60.51 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -166.006 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 25.0 p90 -98.29 -35.28 10.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.909 0.777 . . . . 0.0 111.281 169.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 m -59.59 -37.33 78.25 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.931 -1.106 . . . . 0.0 112.988 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -68.77 -45.39 71.49 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.674 1.189 . . . . 0.0 111.974 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -35.98 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.516 1.926 . . . . 0.0 112.632 170.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 t -72.57 -40.17 66.82 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.924 0.89 . . . . 0.0 111.556 -176.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -66.41 -2.06 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -161.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.4 -36.95 7.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 125.984 1.714 . . . . 0.0 114.085 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -100.1 -3.43 31.88 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.028 1.731 . . . . 0.0 113.61 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.37 -173.33 2.78 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.364 2.266 . . . . 0.0 110.27 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.79 -51.78 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.874 -1.141 . . . . 0.0 113.356 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.55 -109.74 3.08 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 119.405 1.002 . . . . 0.0 114.36 167.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.0 mt -42.75 129.51 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 127.306 2.243 . . . . 0.0 113.412 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 C--O 1.254 1.33 0 CA-C-O 116.584 -1.674 . . . . 0.0 112.744 178.843 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -58.44 141.87 50.32 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.366 1.066 . . . . 0.0 113.414 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -67.92 -31.57 71.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.349 1.86 . . . . 0.0 111.89 168.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.412 ' CD2' ' CZ2' ' A' ' 9' ' ' TRP . 33.2 m80 -85.68 143.84 28.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 127.524 2.33 . . . . 0.0 111.479 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -141.98 -146.53 0.19 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.45 1.1 . . . . 0.0 112.007 -165.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.03 69.46 0.38 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 -145.68 4.33 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.108 1.337 . . . . 0.0 110.518 -168.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.5 m -53.84 -23.92 13.97 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 167.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.412 ' CZ2' ' CD2' ' A' ' 4' ' ' HIS . 7.0 t-105 -52.25 -36.24 51.96 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 173.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.74 -21.9 66.64 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.154 -0.966 . . . . 0.0 112.719 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.3 67.31 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.821 1.191 . . . . 0.0 112.925 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.05 -34.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.006 1.322 . . . . 0.0 111.51 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 t -74.94 -38.54 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.876 1.271 . . . . 0.0 112.502 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -56.85 -53.93 52.24 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 126.465 1.906 . . . . 0.0 113.133 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 p -62.47 -32.45 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 121.266 -0.896 . . . . 0.0 113.098 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.29 -14.28 61.28 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.623 1.169 . . . . 0.0 113.302 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 0.3 OUTLIER -94.27 -43.24 8.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.013 1.325 . . . . 0.0 113.352 175.122 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -87.66 -29.24 21.31 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.341 1.428 . . . . 0.0 110.554 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -57.97 -23.92 55.86 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -75.95 -50.58 14.54 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.461 1.504 . . . . 0.0 112.08 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.85 64.91 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.979 1.712 . . . . 0.0 111.629 162.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -85.92 7.91 22.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.693 0.797 . . . . 0.0 112.292 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -112.22 21.14 16.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.568 2.347 . . . . 0.0 111.435 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.86 -75.43 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.196 1.798 . . . . 0.0 108.137 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -87.25 8.17 25.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.332 1.853 . . . . 0.0 113.898 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.73 178.93 8.86 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.193 1.797 . . . . 0.0 110.807 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.26 -55.2 8.55 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.92 -97.49 0.43 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.318 0.961 . . . . 0.0 115.301 171.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -52.83 140.74 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 126.494 1.917 . . . . 0.0 111.861 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.868 1.667 . . . . 0.0 112.816 -178.68 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 tpp . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -125.38 145.49 50.02 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.116 0.967 . . . . 0.0 113.215 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -76.93 23.15 0.18 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.502 1.521 . . . . 0.0 114.872 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -118.01 131.13 56.5 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.678 1.191 . . . . 0.0 111.925 -164.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.1 -135.09 0.05 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.265 1.826 . . . . 0.0 110.279 -168.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.86 3.82 2.61 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.196 1.379 . . . . 0.0 115.171 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 -137.52 2.54 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.333 1.92 . . . . 0.0 113.873 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.98 -25.39 8.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.57 1.548 . . . . 0.0 114.466 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -53.35 -42.81 67.17 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 170.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.86 -22.65 65.11 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.07 -1.019 . . . . 0.0 112.49 -171.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -13.31 57.47 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.431 1.092 . . . . 0.0 113.784 170.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.83 -33.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.224 0.92 . . . . 0.0 111.608 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.52 -39.31 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.862 0.865 . . . . 0.0 112.097 168.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -49.43 -56.47 9.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 113.795 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.409 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 10.6 p -66.81 -31.19 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.78 -50.12 68.03 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 166.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.251 0.5 OUTLIER -68.21 -32.22 72.29 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -168.336 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 23.5 p90 -85.02 -35.03 22.19 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.948 0.795 . . . . 0.0 112.871 174.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 m -56.85 -39.92 75.14 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.163 -0.961 . . . . 0.0 112.178 173.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.25 -44.02 66.11 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.141 1.376 . . . . 0.0 111.806 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -34.04 65.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.866 1.266 . . . . 0.0 112.297 168.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 t -83.55 -40.34 19.25 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.077 0.951 . . . . 0.0 111.948 -171.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -57.03 -26.19 59.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -167.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.14 -40.36 44.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.335 1.454 . . . . 0.0 114.512 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -97.69 -6.03 33.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.664 1.585 . . . . 0.0 114.047 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.17 -156.24 0.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.789 1.235 . . . . 0.0 112.558 -163.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.46 -55.31 5.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.156 1.383 . . . . 0.0 112.953 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.25 -116.56 9.03 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.715 1.626 . . . . 0.0 112.968 174.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt -49.11 -46.43 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.226 1.81 . . . . 0.0 113.653 176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.8 tttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 124.61 1.164 . . . . 0.0 114.038 -172.062 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 tpp . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -70.45 130.75 42.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.774 1.23 . . . . 0.0 112.578 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -61.69 -42.09 98.46 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.868 2.467 . . . . 0.0 113.807 172.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -80.56 156.72 26.33 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.302 1.841 . . . . 0.0 113.5 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.37 -149.16 0.14 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.711 1.604 . . . . 0.0 111.183 173.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.96 70.32 0.51 Allowed Glycine 0 C--N 1.337 0.612 0 C-N-CA 127.383 2.42 . . . . 0.0 108.861 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.18 -139.62 3.52 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.183 0.897 . . . . 0.0 111.572 -162.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 m -54.48 -18.4 4.23 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -62.55 -37.35 85.81 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 171.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.92 -21.19 66.78 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.059 -1.026 . . . . 0.0 112.586 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.41 66.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.29 -42.41 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.973 0.909 . . . . 0.0 110.853 169.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.72 -45.78 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.614 1.165 . . . . 0.0 113.199 -177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -55.52 -57.36 12.22 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.611 1.165 . . . . 0.0 113.151 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.32 -31.54 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.41 -47.68 80.96 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.5 OUTLIER -69.0 -32.87 72.72 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.762 -169.238 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -85.27 -33.99 22.03 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.3 m -55.02 -42.31 72.4 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.844 -1.16 . . . . 0.0 112.879 173.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.61 -36.73 60.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.139 1.375 . . . . 0.0 112.408 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -42.48 69.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.29 1.836 . . . . 0.0 112.192 161.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -80.59 -39.95 26.64 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.182 -0.949 . . . . 0.0 112.236 -169.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -64.82 -10.39 27.71 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -167.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.15 -48.54 48.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.32 -0.49 28.15 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.664 1.585 . . . . 0.0 113.057 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.19 -164.34 1.83 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.041 1.337 . . . . 0.0 111.809 -169.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -72.83 -57.46 4.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.293 1.037 . . . . 0.0 111.288 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.91 -110.67 3.61 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.063 1.792 . . . . 0.0 112.471 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.8 mt -42.65 125.12 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 126.736 2.015 . . . . 0.0 112.055 172.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 tttt . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.295 1.838 . . . . 0.0 110.428 176.091 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptm . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -98.25 -156.88 0.56 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.837 1.255 . . . . 0.0 111.822 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 58.82 70.41 0.65 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.811 2.044 . . . . 0.0 112.109 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -93.48 78.36 4.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.398 1.479 . . . . 0.0 111.556 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.65 -150.79 0.18 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.819 1.248 . . . . 0.0 113.109 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.49 44.05 1.21 Allowed Glycine 0 N--CA 1.473 1.121 0 C-N-CA 127.156 2.313 . . . . 0.0 110.957 -175.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.11 -133.05 1.61 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.922 1.725 . . . . 0.0 110.364 -165.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -49.47 -23.66 1.66 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -60.86 -40.73 94.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 171.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.45 -27.89 68.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.307 1.043 . . . . 0.0 112.041 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.75 70.51 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.94 0.896 . . . . 0.0 112.559 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.54 -37.55 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.222 1.409 . . . . 0.0 111.443 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -68.56 -45.65 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.923 0.889 . . . . 0.0 112.475 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.067 1.347 . . . . 0.0 113.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.421 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 7.8 p -67.41 -32.65 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.21 -46.58 86.32 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 168.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.91 -36.4 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.122 -0.986 . . . . 0.0 113.364 -164.499 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 11.8 p90 -84.1 -29.45 26.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.043 0.838 . . . . 0.0 109.756 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -67.48 -31.23 71.24 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.008 -1.058 . . . . 0.0 112.005 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -83.62 -38.62 21.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.56 1.144 . . . . 0.0 112.236 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -34.68 28.46 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.933 1.293 . . . . 0.0 112.542 165.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.0 p -93.78 1.29 56.52 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.521 1.528 . . . . 0.0 114.829 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 52.1 p -79.11 -14.55 59.06 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.93 -38.92 50.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 O-C-N 120.753 -1.217 . . . . 0.0 114.239 -155.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -125.04 14.19 8.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.508 1.523 . . . . 0.0 111.336 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.53 173.33 14.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.006 0.922 . . . . 0.0 113.16 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -59.67 -44.81 93.45 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.834 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -105.39 1.16 Allowed Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.6 1.572 . . . . 0.0 112.142 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -43.35 135.51 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 128.275 2.63 . . . . 0.0 114.272 174.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.569 1.948 . . . . 0.0 114.678 -176.787 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -75.75 102.05 5.28 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.858 -1.151 . . . . 0.0 113.097 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -74.63 -7.08 52.08 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.929 1.291 . . . . 0.0 114.473 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -80.21 165.65 22.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.583 1.553 . . . . 0.0 112.671 -174.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.23 -143.1 0.1 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.898 1.679 . . . . 0.0 110.432 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.06 97.92 0.18 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 -144.18 8.82 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -158.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.29 -18.87 11.9 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -57.15 -35.96 70.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 169.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.49 -21.54 65.57 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.58 -0.7 . . . . 0.0 112.432 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.81 67.88 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.182 0.901 . . . . 0.0 113.356 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -79.27 -38.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.261 1.024 . . . . 0.0 111.476 173.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.86 -45.69 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.976 1.31 . . . . 0.0 113.269 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -52.61 -53.71 43.08 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.207 1.403 . . . . 0.0 112.698 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.99 -32.38 57.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.56 -46.22 86.89 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.852 0.751 . . . . 0.0 109.399 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.281 0.5 OUTLIER -72.67 -19.64 61.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.306 24.3 p90 -94.55 -33.95 12.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 164.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 m -53.36 -38.8 63.65 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.004 -1.06 . . . . 0.0 113.006 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -74.86 -43.83 52.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.205 1.002 . . . . 0.0 110.7 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -30.74 54.42 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.504 1.921 . . . . 0.0 113.852 167.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 t -79.91 -40.34 28.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.086 0.954 . . . . 0.0 112.106 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -65.75 -7.78 17.62 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -162.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -31.87 6.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 126.742 2.017 . . . . 0.0 113.698 174.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -98.89 -12.77 20.43 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.745 1.218 . . . . 0.0 113.277 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.01 -165.39 1.35 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.694 1.198 . . . . 0.0 111.73 -162.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -72.03 -55.25 7.72 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.674 0.79 . . . . 0.0 111.666 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.22 -112.98 5.45 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.043 0.83 . . . . 0.0 112.533 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -38.75 137.82 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 128.668 2.787 . . . . 0.0 113.875 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.196 1.798 . . . . 0.0 113.136 175.769 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ppp? . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.428 0.156 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -79.1 135.27 36.8 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.59 1.556 . . . . 0.0 114.023 -173.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -78.61 -29.26 45.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.849 2.06 . . . . 0.0 114.561 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -94.07 146.31 24.05 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 125.651 1.581 . . . . 0.0 112.096 -175.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.44 -128.32 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.882 1.673 . . . . 0.0 109.352 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.81 -1.48 0.28 Allowed Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.408 1.48 . . . . 0.0 115.336 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 -137.12 2.23 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.718 1.628 . . . . 0.0 112.031 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 m -52.78 -20.0 2.89 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -54.75 -40.38 69.27 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.262 0.937 . . . . 0.0 113.142 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -68.39 -21.56 64.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.057 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -22.95 63.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.279 1.032 . . . . 0.0 112.819 169.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.19 -42.67 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.426 -0.796 . . . . 0.0 110.293 173.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.04 -39.73 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.588 -0.695 . . . . 0.0 112.426 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.8 m -53.26 -56.3 17.64 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.4 p -66.59 -32.9 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.79 -47.11 84.88 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -31.5 68.82 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -166.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 10.5 p90 -90.54 -30.01 17.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.443 0.565 . . . . 0.0 110.462 177.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -61.08 -37.1 81.51 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.906 -1.121 . . . . 0.0 112.437 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -70.52 -47.04 62.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.784 1.234 . . . . 0.0 111.325 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -36.58 50.76 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.527 1.531 . . . . 0.0 112.644 167.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -89.35 -19.27 25.46 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.2 t -59.27 -17.15 26.12 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -72.8 -62.12 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.209 1.404 . . . . 0.0 113.966 164.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -77.61 -8.6 58.12 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.22 -179.18 7.83 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.559 1.544 . . . . 0.0 111.461 -167.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -57.17 -47.7 80.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.1 -122.05 20.33 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 125.269 1.414 . . . . 0.0 113.365 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -44.82 128.09 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 128.527 2.731 . . . . 0.0 113.515 -174.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.856 2.062 . . . . 0.0 111.612 169.244 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -59.27 145.87 41.47 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -63.61 -48.33 77.75 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.799 1.239 . . . . 0.0 113.734 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -84.56 72.37 10.67 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.212 1.805 . . . . 0.0 112.955 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.03 -148.19 0.07 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.272 1.429 . . . . 0.0 112.309 171.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.23 62.02 0.48 Allowed Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.686 1.612 . . . . 0.0 109.591 -170.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 -130.34 1.28 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -161.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.57 -31.22 23.77 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -53.94 -37.94 64.39 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.8 -26.99 69.0 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.184 -0.948 . . . . 0.0 111.899 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.51 72.24 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.815 0.734 . . . . 0.0 112.666 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.68 -44.31 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.484 1.514 . . . . 0.0 111.302 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.55 -45.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.314 1.446 . . . . 0.0 111.013 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.86 -54.16 50.28 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 125.973 1.709 . . . . 0.0 113.643 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.89 -34.44 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 O-C-N 121.346 -0.846 . . . . 0.0 113.183 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 tp -67.42 -37.25 82.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.029 0.532 . . . . 0.0 109.857 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.265 0.3 OUTLIER -69.27 -42.09 76.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.996 -1.065 . . . . 0.0 112.299 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -83.47 -31.85 26.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -57.0 -36.24 70.16 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.136 -0.978 . . . . 0.0 113.081 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -74.22 -42.24 60.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.429 1.492 . . . . 0.0 111.907 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.97 70.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.987 1.715 . . . . 0.0 112.54 167.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -80.68 -41.85 23.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.177 0.991 . . . . 0.0 110.914 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t -67.62 3.64 1.33 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -165.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.56 -43.6 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 126.958 2.103 . . . . 0.0 112.654 171.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -93.74 -7.84 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.484 1.914 . . . . 0.0 113.127 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.42 -174.13 3.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.169 2.188 . . . . 0.0 110.551 -167.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -64.16 -50.07 69.6 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.004 0.922 . . . . 0.0 112.554 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.69 -126.24 38.83 Favored Glycine 0 CA--C 1.539 1.536 0 O-C-N 121.647 -0.658 . . . . 0.0 112.319 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.6 mt -42.83 111.6 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 127.383 2.273 . . . . 0.0 113.174 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.306 -1.331 . . . . 0.0 112.337 177.371 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.28 104.5 0.27 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 106.38 -2.688 . . . . 0.0 106.38 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.63 -153.12 18.09 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -159.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m -54.79 -21.04 9.88 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 165.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.1 -35.51 62.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.877 1.271 . . . . 0.0 113.152 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -21.67 66.39 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.555 -0.716 . . . . 0.0 112.504 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.46 67.3 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.737 1.153 . . . . 0.0 113.375 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -78.38 -38.13 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.566 1.146 . . . . 0.0 111.25 172.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.72 -47.95 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.299 1.44 . . . . 0.0 112.79 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.0 m -52.44 -53.65 42.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.123 1.369 . . . . 0.0 113.855 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.58 -35.06 74.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 tp -63.77 -45.79 88.21 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.273 0.4 OUTLIER -70.14 -24.62 63.2 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.228 -0.891 . . . . 0.0 113.363 -171.676 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.258 25.5 p90 -90.84 -33.65 15.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 167.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 m -55.57 -45.88 77.27 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.005 -1.059 . . . . 0.0 111.943 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -69.16 -46.51 67.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.534 1.134 . . . . 0.0 110.882 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.54 -34.9 27.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.951 2.501 . . . . 0.0 113.686 169.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -85.75 -39.12 17.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 112.564 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -65.5 -13.12 58.16 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 -161.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -72.04 -41.55 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -104.01 -12.08 17.01 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.456 1.903 . . . . 0.0 113.24 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.45 -171.13 3.81 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.65 1.58 . . . . 0.0 110.78 -164.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -71.56 -55.71 7.28 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.228 -0.92 . . . . 0.0 111.591 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -110.01 3.21 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 123.748 0.69 . . . . 0.0 112.958 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 126.053 1.741 . . . . 0.0 110.811 164.922 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.547 0.833 0 CA-C-O 120.577 0.227 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.14 62.58 0.53 Allowed Glycine 0 N--CA 1.467 0.751 0 C-N-CA 126.356 1.931 . . . . 0.0 109.085 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.87 -134.09 1.59 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.891 1.71 . . . . 0.0 110.807 -166.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.8 m -52.27 -27.88 16.73 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.356 1.614 . . . . 0.0 115.356 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.65 -36.45 62.09 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.2 mt -65.51 -22.89 66.77 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.518 -0.738 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -27.61 68.69 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.413 1.006 . . . . 0.0 112.868 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.75 -44.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 110.951 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.77 -42.97 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.511 1.124 . . . . 0.0 113.144 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.5 m -53.05 -57.94 8.69 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 125.442 1.497 . . . . 0.0 113.192 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.31 -27.48 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 120.878 -1.139 . . . . 0.0 113.102 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 tp -75.24 -14.29 60.51 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.215 1.006 . . . . 0.0 113.357 172.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.01 -46.71 4.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 113.82 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -79.33 -24.46 42.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.895 -1.128 . . . . 0.0 111.155 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m -54.53 -31.56 56.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.416 1.086 . . . . 0.0 113.482 167.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -78.2 -41.19 35.28 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.734 1.213 . . . . 0.0 111.339 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.11 -44.92 71.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.2 1.4 . . . . 0.0 112.459 159.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -82.77 -21.99 34.45 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -167.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -12.87 11.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.002 1.721 . . . . 0.0 114.706 -171.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.3 m -75.29 -33.02 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.716 1.607 . . . . 0.0 114.242 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -113.0 4.62 16.82 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.538 1.535 . . . . 0.0 112.648 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.72 177.66 10.23 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -168.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -53.5 -45.74 69.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.024 1.33 . . . . 0.0 113.558 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.18 -108.16 0.52 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.11 1.338 . . . . 0.0 114.351 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 126.737 2.015 . . . . 0.0 112.404 -175.7 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.549 0.904 0 N-CA-C 111.285 0.106 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.72 68.03 0.42 Allowed Glycine 0 N--CA 1.465 0.604 0 C-N-CA 125.924 1.725 . . . . 0.0 109.369 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.21 -146.93 5.23 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.929 1.252 . . . . 0.0 110.847 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.9 m -57.93 -10.36 1.74 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.02 -40.51 73.51 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.096 -1.003 . . . . 0.0 112.809 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.92 -11.04 54.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.844 -1.074 . . . . 0.0 113.347 177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -18.38 61.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.996 1.726 . . . . 0.0 113.023 170.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.19 -37.7 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.331 1.452 . . . . 0.0 111.455 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 t -77.29 -36.08 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.301 1.441 . . . . 0.0 113.485 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.5 m -51.47 -50.45 59.81 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.627 1.571 . . . . 0.0 114.086 -178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.92 -30.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.66 -30.81 69.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.953 0.901 . . . . 0.0 111.842 167.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.264 0.3 OUTLIER -86.8 -36.74 18.37 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -176.031 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.251 25.0 p90 -77.46 -40.1 44.39 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.052 1.296 . . . . 0.0 113.605 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -56.36 -9.66 0.74 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.215 1.806 . . . . 0.0 115.194 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -69.12 -43.25 74.82 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.301 2.241 . . . . 0.0 111.443 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.02 54.67 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.186 1.794 . . . . 0.0 113.866 173.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -85.86 -39.61 16.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.694 1.597 . . . . 0.0 111.756 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.5 p -61.47 -13.6 22.01 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -165.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 m -89.6 -40.59 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 125.813 1.645 . . . . 0.0 112.347 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -95.38 -5.24 43.74 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.031 1.732 . . . . 0.0 113.565 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.67 -165.69 1.2 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.161 1.784 . . . . 0.0 111.857 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.53 -44.87 33.18 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.896 0.878 . . . . 0.0 112.036 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.08 -124.77 33.06 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.043 0.83 . . . . 0.0 113.051 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.867 0 C-N-CA 125.555 1.542 . . . . 0.0 114.116 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 CA--C 1.549 0.908 0 CA-C-O 118.851 -0.595 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.5 -3.5 0.72 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 116.614 1.405 . . . . 0.0 116.614 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.97 -119.21 1.67 Allowed Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.769 1.285 . . . . 0.0 113.631 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m -53.63 -26.94 24.38 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 172.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.67 -40.92 66.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 113.313 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.62 -18.57 62.87 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.8 -1.188 . . . . 0.0 112.752 -173.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.26 58.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.889 0.876 . . . . 0.0 112.596 169.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.83 -37.98 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.492 0.717 . . . . 0.0 110.886 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -70.07 -34.43 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.168 0.987 . . . . 0.0 113.027 172.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 m -55.41 -51.75 65.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.39 -31.64 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.35 -49.72 76.46 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.304 0.4 OUTLIER -68.6 -26.61 65.46 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -169.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.27 23.7 p90 -90.63 -33.79 15.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 m -55.78 -37.48 68.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.843 -1.161 . . . . 0.0 112.184 174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.34 -45.17 81.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.2 1.4 . . . . 0.0 111.606 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -33.64 66.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 113.464 171.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.2 t -80.84 -35.36 32.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.117 0.967 . . . . 0.0 112.414 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -65.88 -5.17 8.35 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -167.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.75 -43.52 69.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 120.208 -1.558 . . . . 0.0 114.445 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -109.2 -2.17 18.18 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.692 1.197 . . . . 0.0 112.963 -178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.27 -171.32 3.56 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.609 1.164 . . . . 0.0 111.874 -163.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -65.72 -57.13 8.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.95 -106.02 1.0 Allowed Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.979 0.8 . . . . 0.0 112.046 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.9 mt . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 127.885 2.474 . . . . 0.0 112.423 168.505 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 CA--C 1.548 0.872 0 CA-C-O 118.121 -0.942 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.36 -10.22 1.94 Allowed Glycine 0 N--CA 1.477 1.41 0 CA-C-N 121.144 1.793 . . . . 0.0 115.953 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -139.75 2.1 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.945 1.259 . . . . 0.0 113.538 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 m -52.37 -16.23 0.82 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -53.18 -42.63 66.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.24 0.927 . . . . 0.0 113.379 163.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.53 -16.08 63.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.9 1.28 . . . . 0.0 113.578 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.72 -24.03 65.36 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 113.021 166.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.95 -36.54 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.656 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.1 -40.94 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.973 0.909 . . . . 0.0 111.578 172.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.03 -53.91 36.26 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.456 1.102 . . . . 0.0 113.481 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.85 -22.94 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.04 -50.85 60.62 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.501 -0.749 . . . . 0.0 109.631 160.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -36.51 78.37 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -164.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -85.05 -30.48 24.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.043 0.838 . . . . 0.0 110.88 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -60.13 -36.44 77.5 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.031 -1.043 . . . . 0.0 112.686 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -67.19 -47.35 71.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.007 1.323 . . . . 0.0 110.983 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -34.98 64.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.059 1.744 . . . . 0.0 113.257 168.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -91.14 -23.62 20.22 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.5 t -62.54 -7.91 5.44 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -173.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -80.28 -34.83 15.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 126.396 1.878 . . . . 0.0 114.288 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -107.49 3.0 24.58 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.496 1.918 . . . . 0.0 113.289 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.47 -177.57 5.35 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.73 1.612 . . . . 0.0 111.47 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -61.24 -52.19 65.78 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.006 -1.059 . . . . 0.0 111.357 167.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.39 -97.18 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.517 2.008 . . . . 0.0 113.095 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.2 mt . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 126.228 1.811 . . . . 0.0 112.385 177.651 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.558 1.263 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.85 4.29 1.87 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.583 1.564 . . . . 0.0 114.895 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.49 -137.85 3.29 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.282 1.42 . . . . 0.0 112.057 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.5 -20.97 3.27 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -56.02 -41.93 75.68 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 168.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.74 -20.36 65.23 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.819 -1.175 . . . . 0.0 112.789 -172.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -21.51 64.71 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.287 1.035 . . . . 0.0 113.366 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.71 -41.97 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 121.378 -0.826 . . . . 0.0 110.297 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.18 -36.9 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.615 1.166 . . . . 0.0 112.137 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.46 -58.31 7.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 124.785 1.234 . . . . 0.0 113.475 174.116 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.967 -1.083 . . . . 0.0 112.043 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.35 -20.02 65.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.751 0.82 . . . . 0.0 112.158 171.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.3 OUTLIER -95.15 -38.31 10.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.351 1.46 . . . . 0.0 113.874 175.029 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -93.5 -41.48 9.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.871 1.669 . . . . 0.0 112.93 -174.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -73.28 -18.54 61.2 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.75 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.08 -45.17 43.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 112.495 166.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -29.96 28.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.023 1.729 . . . . 0.0 113.483 168.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -78.26 -45.17 23.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.02 1.328 . . . . 0.0 111.268 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -54.35 -15.73 1.8 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 -162.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 m -86.87 -28.86 5.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 126.397 1.879 . . . . 0.0 114.527 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -125.2 6.46 7.82 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 112.499 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.36 176.54 12.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.387 1.075 . . . . 0.0 112.349 -169.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -63.57 -52.23 61.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.898 0.879 . . . . 0.0 111.918 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.22 -129.61 46.0 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.03 0.824 . . . . 0.0 112.305 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.305 1.442 . . . . 0.0 114.688 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.554 1.099 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.31 64.29 0.29 Allowed Glycine 0 N--CA 1.472 1.053 0 CA-C-N 121.681 2.037 . . . . 0.0 111.723 -160.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.12 -128.47 1.05 Allowed Glycine 0 CA--C 1.537 1.469 0 C-N-CA 123.517 0.58 . . . . 0.0 112.501 -171.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 96.9 m -48.29 -30.12 4.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.186 1.795 . . . . 0.0 114.859 170.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.01 -40.51 85.14 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.62 -14.73 63.21 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.844 -1.16 . . . . 0.0 112.854 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.38 -36.43 61.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.899 0.772 . . . . 0.0 111.746 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.78 -43.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.86 1.264 . . . . 0.0 111.504 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -64.42 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.496 -0.753 . . . . 0.0 111.597 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.4 m -60.99 -51.03 71.0 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.426 1.49 . . . . 0.0 114.359 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.32 -32.32 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.271 -0.893 . . . . 0.0 113.222 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.11 -46.04 90.79 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.2 OUTLIER -64.1 -42.01 97.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.845 -176.171 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.256 11.0 p90 -82.32 -26.45 33.01 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 m -61.1 -46.57 90.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.789 0.836 . . . . 0.0 111.464 169.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -72.31 -37.88 68.83 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.527 1.131 . . . . 0.0 112.086 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -31.68 63.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.931 1.692 . . . . 0.0 113.342 166.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -87.86 -40.18 14.21 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.35 0.66 . . . . 0.0 112.0 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.3 t -62.93 -15.43 55.41 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -166.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.56 -26.17 30.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 120.02 -1.675 . . . . 0.0 115.11 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -125.02 3.51 8.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.931 2.092 . . . . 0.0 112.687 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.02 -173.19 4.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.47 0.708 . . . . 0.0 112.686 -168.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -60.3 -60.93 3.03 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.122 0.569 . . . . 0.0 112.268 162.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.28 -107.51 1.63 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.546 0.823 0 C-N-CA 126.639 1.976 . . . . 0.0 111.556 165.848 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.554 1.098 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.4 37.48 1.84 Allowed Glycine 0 N--CA 1.476 1.308 0 C-N-CA 125.763 1.649 . . . . 0.0 113.339 -169.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.13 -134.25 2.62 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.739 1.638 . . . . 0.0 110.731 -164.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.6 m -51.47 -26.81 8.9 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 174.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -56.6 -38.98 72.77 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 171.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.58 -19.94 62.75 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.48 -0.772 . . . . 0.0 112.124 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.9 66.17 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.84 1.2 . . . . 0.0 113.193 172.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.79 -34.25 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.399 1.479 . . . . 0.0 111.613 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -76.79 -36.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.944 0.898 . . . . 0.0 112.966 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.1 m -55.51 -48.8 74.06 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 126.127 1.771 . . . . 0.0 113.912 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -30.63 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 O-C-N 121.514 -0.741 . . . . 0.0 112.96 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.42 -49.92 75.65 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.283 0.3 OUTLIER -67.31 -30.49 70.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -170.835 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.292 29.1 p90 -84.98 -32.4 23.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 171.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -56.23 -35.48 67.4 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.386 -0.821 . . . . 0.0 112.431 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -76.13 -41.28 50.58 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.612 1.565 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -34.7 65.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.641 1.976 . . . . 0.0 112.474 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -80.98 -46.06 15.66 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.987 . . . . 0.0 111.56 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 t -58.31 -23.28 56.0 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 -164.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.63 -48.81 39.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.45 -10.45 51.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.279 1.832 . . . . 0.0 113.863 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.75 -168.99 1.42 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.982 1.313 . . . . 0.0 112.35 -159.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -71.67 -43.83 65.33 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.74 -128.5 39.89 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 125.62 1.581 . . . . 0.0 116.208 167.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 N--CA 1.488 1.47 0 C-N-CA 128.279 2.632 . . . . 0.0 111.71 177.175 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.552 1.054 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.23 5.83 1.93 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.651 1.596 . . . . 0.0 114.32 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.77 -141.32 3.43 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.701 1.143 . . . . 0.0 111.57 163.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -55.02 -10.45 0.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 117.709 2.485 . . . . 0.0 117.709 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -58.06 -42.6 85.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.155 0.978 . . . . 0.0 112.869 165.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.66 -21.61 62.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.156 0.983 . . . . 0.0 112.69 -167.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.03 -27.93 21.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.292 1.437 . . . . 0.0 113.452 168.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mt -84.51 -30.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.563 1.145 . . . . 0.0 111.769 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.36 -36.94 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.735 1.214 . . . . 0.0 113.336 167.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 m -55.82 -52.83 62.64 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.076 1.35 . . . . 0.0 113.61 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.15 -34.08 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.01 -29.7 70.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.784 0.834 . . . . 0.0 111.905 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.26 0.3 OUTLIER -89.68 -29.88 18.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.103 1.361 . . . . 0.0 113.925 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.317 23.3 p90 -88.3 -41.82 12.64 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -3.89 11.47 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-O 122.232 1.015 . . . . 0.0 113.391 -173.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -59.84 -35.82 75.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.824 2.45 . . . . 0.0 112.841 162.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -25.91 67.73 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.612 1.165 . . . . 0.0 113.5 169.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -80.96 -44.97 17.37 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.549 -0.72 . . . . 0.0 111.204 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.1 t -53.11 -24.36 10.13 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -168.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -78.48 -29.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 120.385 -1.447 . . . . 0.0 113.446 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -110.28 -3.04 16.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.87 -171.32 2.44 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.06 0.944 . . . . 0.0 112.871 -163.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -65.88 -53.33 41.08 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.817 1.247 . . . . 0.0 113.76 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 -139.33 37.44 Favored Glycine 0 N--CA 1.474 1.218 0 C-N-CA 124.035 0.826 . . . . 0.0 114.281 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.668 0 C-N-CA 124.661 1.184 . . . . 0.0 113.736 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 111.303 0.112 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.09 89.38 0.14 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 107.233 -2.347 . . . . 0.0 107.233 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.87 -155.17 20.25 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.382 0.991 . . . . 0.0 110.975 -160.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.5 m -47.67 -24.49 0.93 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -53.62 -38.67 64.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.434 1.094 . . . . 0.0 113.408 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.73 -18.69 64.29 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.122 -0.986 . . . . 0.0 113.041 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.13 -32.89 70.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.5 1.045 . . . . 0.0 111.843 173.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -73.75 -37.43 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.78 1.232 . . . . 0.0 111.226 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -70.42 -42.62 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.487 1.115 . . . . 0.0 111.894 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -54.89 -52.95 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.911 1.285 . . . . 0.0 113.422 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.6 p -68.04 -30.75 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.87 -46.29 85.58 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 168.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.266 0.4 OUTLIER -68.53 -31.54 70.85 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.883 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 24.5 p90 -88.58 -33.75 17.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.564 0.62 . . . . 0.0 111.676 175.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -60.76 -38.82 86.51 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.749 -1.219 . . . . 0.0 112.694 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -72.99 -41.95 63.78 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.662 1.185 . . . . 0.0 111.649 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -27.61 53.93 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.317 1.847 . . . . 0.0 113.592 166.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.5 t -91.39 -44.48 9.12 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB2' ' H ' ' A' ' 29' ' ' ILE . 1.6 t -64.33 -14.38 55.84 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -160.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.94 -31.72 48.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 126.897 2.079 . . . . 0.0 114.983 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -120.3 -0.3 10.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.349 1.46 . . . . 0.0 112.493 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.47 -166.38 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.169 1.388 . . . . 0.0 112.197 -166.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -72.57 -57.38 4.19 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.212 1.005 . . . . 0.0 111.759 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.29 -113.61 5.62 Favored Glycine 0 CA--C 1.542 1.719 0 O-C-N 121.088 -1.008 . . . . 0.0 113.653 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' H ' ' HB2' ' A' ' 23' ' ' SER . 78.4 mt . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 128.166 2.586 . . . . 0.0 112.991 171.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 CA--C 1.553 1.084 0 CA-C-O 119.185 -0.436 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.19 2.82 0.85 Allowed Glycine 0 CA--C 1.542 1.765 0 CA-C-N 120.121 1.328 . . . . 0.0 116.011 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.03 -138.25 1.86 Allowed Glycine 0 CA--C 1.537 1.44 0 CA-C-N 118.905 1.353 . . . . 0.0 113.235 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.9 m -46.95 -24.89 0.68 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.007 1.723 . . . . 0.0 115.543 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -43.29 67.45 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 169.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.84 -19.19 64.25 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.106 0.962 . . . . 0.0 112.645 -169.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.77 -20.85 53.41 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.71 1.204 . . . . 0.0 113.281 168.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.43 -44.87 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.264 -0.898 . . . . 0.0 110.319 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.54 -40.95 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.635 0.774 . . . . 0.0 112.963 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -55.16 -59.63 4.5 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.269 1.028 . . . . 0.0 113.357 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 9.6 p -63.62 -32.6 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.43 -48.36 80.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.286 0.5 OUTLIER -70.06 -24.3 63.22 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 117.688 -1.149 . . . . 0.0 113.638 -169.378 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 29.2 p90 -95.74 -40.08 9.55 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 172.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -64.3 -32.58 74.24 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.478 -1.389 . . . . 0.0 111.759 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -64.91 -48.41 74.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.716 1.206 . . . . 0.0 111.876 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -35.07 29.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.209 1.804 . . . . 0.0 112.639 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t -84.58 -35.22 22.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 0.0 112.013 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 t -59.42 -18.33 38.24 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -170.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -62.48 -61.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 120.975 -1.078 . . . . 0.0 113.432 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -88.54 -8.27 55.07 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.91 -173.42 4.57 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.02 0.928 . . . . 0.0 113.067 -161.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.33 -44.58 87.35 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.47 -117.24 6.14 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.18 0.895 . . . . 0.0 113.314 172.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mt . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 128.126 2.571 . . . . 0.0 114.691 178.607 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 119.118 -0.467 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.68 -0.42 1.78 Allowed Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.058 1.314 . . . . 0.0 115.194 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.07 -131.77 0.77 Allowed Glycine 0 CA--C 1.538 1.49 0 CA-C-N 119.216 1.508 . . . . 0.0 113.781 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -53.56 -25.69 18.23 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 174.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -54.02 -42.87 69.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.466 1.106 . . . . 0.0 113.556 171.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.19 -23.99 63.99 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.228 -0.92 . . . . 0.0 112.204 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -16.82 61.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.426 1.091 . . . . 0.0 113.829 170.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.09 -45.76 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 109.665 170.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.76 -42.23 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.7 m -51.85 -60.22 3.43 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 113.179 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.32 -27.05 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.46 -40.79 97.77 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.867 167.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -42.75 12.56 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -166.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -78.99 -31.08 44.72 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.409 1.459 . . . . 0.0 109.519 -173.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 m -58.07 -28.0 64.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 113.157 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.98 -51.35 18.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.922 0.889 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -33.9 45.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.965 1.706 . . . . 0.0 112.748 169.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -88.96 -19.44 25.73 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -173.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -7.6 4.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.931 1.692 . . . . 0.0 114.667 -170.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.27 -41.69 20.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 126.558 1.943 . . . . 0.0 113.578 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -97.59 -1.23 44.29 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.307 1.843 . . . . 0.0 113.704 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.82 -179.14 7.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.736 0.815 . . . . 0.0 112.558 -165.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.92 -43.22 86.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.88 0.872 . . . . 0.0 112.293 166.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.24 -107.04 0.5 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 126.574 2.035 . . . . 0.0 113.608 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--O 1.238 0.468 0 C-N-CA 127.016 2.126 . . . . 0.0 111.611 -175.303 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 CA--C 1.545 0.759 0 CA-C-O 119.119 -0.467 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.81 9.72 1.61 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-N 119.483 1.038 . . . . 0.0 115.418 -172.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.5 -132.4 1.38 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.514 1.53 . . . . 0.0 113.348 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.1 m -49.06 -28.39 4.06 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -54.41 -43.18 71.28 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.493 1.517 . . . . 0.0 113.77 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.7 tp -68.87 -26.66 65.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.311 -0.868 . . . . 0.0 112.367 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.5 -22.24 64.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.127 0.971 . . . . 0.0 112.859 172.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.0 -39.85 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 118.695 0.679 . . . . 0.0 111.255 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.21 -42.8 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.9 0.88 . . . . 0.0 112.893 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -54.7 -49.85 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.0 p -72.6 -32.42 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.33 -45.34 94.84 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.8 OUTLIER -74.56 -18.91 60.51 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -166.006 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 25.0 p90 -98.29 -35.28 10.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.909 0.777 . . . . 0.0 111.281 169.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 m -59.59 -37.33 78.25 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.931 -1.106 . . . . 0.0 112.988 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -68.77 -45.39 71.49 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.674 1.189 . . . . 0.0 111.974 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -35.98 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.516 1.926 . . . . 0.0 112.632 170.175 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 t -72.57 -40.17 66.82 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.924 0.89 . . . . 0.0 111.556 -176.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -66.41 -2.06 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -161.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.4 -36.95 7.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 125.984 1.714 . . . . 0.0 114.085 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -100.1 -3.43 31.88 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.028 1.731 . . . . 0.0 113.61 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.37 -173.33 2.78 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.364 2.266 . . . . 0.0 110.27 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.79 -51.78 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.874 -1.141 . . . . 0.0 113.356 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.55 -109.74 3.08 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 119.405 1.002 . . . . 0.0 114.36 167.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.0 mt . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 127.306 2.243 . . . . 0.0 113.412 177.559 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.03 69.46 0.38 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 -145.68 4.33 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.108 1.337 . . . . 0.0 110.518 -168.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.5 m -53.84 -23.92 13.97 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 167.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -52.25 -36.24 51.96 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 173.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.74 -21.9 66.64 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.154 -0.966 . . . . 0.0 112.719 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.3 67.31 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.821 1.191 . . . . 0.0 112.925 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.05 -34.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.006 1.322 . . . . 0.0 111.51 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 t -74.94 -38.54 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.876 1.271 . . . . 0.0 112.502 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -56.85 -53.93 52.24 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 126.465 1.906 . . . . 0.0 113.133 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 p -62.47 -32.45 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 121.266 -0.896 . . . . 0.0 113.098 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.29 -14.28 61.28 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.623 1.169 . . . . 0.0 113.302 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 0.3 OUTLIER -94.27 -43.24 8.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.013 1.325 . . . . 0.0 113.352 175.122 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -87.66 -29.24 21.31 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.341 1.428 . . . . 0.0 110.554 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -57.97 -23.92 55.86 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -75.95 -50.58 14.54 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.461 1.504 . . . . 0.0 112.08 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.85 64.91 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.979 1.712 . . . . 0.0 111.629 162.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -85.92 7.91 22.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.693 0.797 . . . . 0.0 112.292 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -112.22 21.14 16.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.568 2.347 . . . . 0.0 111.435 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.86 -75.43 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.196 1.798 . . . . 0.0 108.137 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -87.25 8.17 25.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.332 1.853 . . . . 0.0 113.898 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.73 178.93 8.86 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.193 1.797 . . . . 0.0 110.807 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.26 -55.2 8.55 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.92 -97.49 0.43 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.318 0.961 . . . . 0.0 115.301 171.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 126.494 1.917 . . . . 0.0 111.861 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.549 0.911 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.86 3.82 2.61 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.196 1.379 . . . . 0.0 115.171 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 -137.52 2.54 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.333 1.92 . . . . 0.0 113.873 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.98 -25.39 8.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.57 1.548 . . . . 0.0 114.466 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -53.35 -42.81 67.17 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 170.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.86 -22.65 65.11 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.07 -1.019 . . . . 0.0 112.49 -171.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -13.31 57.47 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.431 1.092 . . . . 0.0 113.784 170.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.83 -33.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.224 0.92 . . . . 0.0 111.608 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.52 -39.31 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.862 0.865 . . . . 0.0 112.097 168.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -49.43 -56.47 9.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 113.795 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.81 -31.19 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.78 -50.12 68.03 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 166.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.251 0.5 OUTLIER -68.21 -32.22 72.29 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -168.336 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -85.02 -35.03 22.19 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.948 0.795 . . . . 0.0 112.871 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 m -56.85 -39.92 75.14 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.163 -0.961 . . . . 0.0 112.178 173.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.25 -44.02 66.11 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.141 1.376 . . . . 0.0 111.806 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -34.04 65.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.866 1.266 . . . . 0.0 112.297 168.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 t -83.55 -40.34 19.25 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.077 0.951 . . . . 0.0 111.948 -171.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -57.03 -26.19 59.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -167.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.14 -40.36 44.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.335 1.454 . . . . 0.0 114.512 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -97.69 -6.03 33.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.664 1.585 . . . . 0.0 114.047 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.17 -156.24 0.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.789 1.235 . . . . 0.0 112.558 -163.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.46 -55.31 5.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.156 1.383 . . . . 0.0 112.953 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.25 -116.56 9.03 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.715 1.626 . . . . 0.0 112.968 174.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 126.226 1.81 . . . . 0.0 113.653 176.172 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.555 1.144 0 CA-C-O 121.037 0.446 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.96 70.32 0.51 Allowed Glycine 0 C--N 1.337 0.612 0 C-N-CA 127.383 2.42 . . . . 0.0 108.861 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.18 -139.62 3.52 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.183 0.897 . . . . 0.0 111.572 -162.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 m -54.48 -18.4 4.23 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -62.55 -37.35 85.81 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 171.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.92 -21.19 66.78 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.059 -1.026 . . . . 0.0 112.586 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.41 66.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.29 -42.41 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.973 0.909 . . . . 0.0 110.853 169.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.72 -45.78 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.614 1.165 . . . . 0.0 113.199 -177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -55.52 -57.36 12.22 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.611 1.165 . . . . 0.0 113.151 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.32 -31.54 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.41 -47.68 80.96 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.5 OUTLIER -69.0 -32.87 72.72 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.762 -169.238 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -85.27 -33.99 22.03 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.3 m -55.02 -42.31 72.4 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.844 -1.16 . . . . 0.0 112.879 173.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.61 -36.73 60.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.139 1.375 . . . . 0.0 112.408 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -42.48 69.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.29 1.836 . . . . 0.0 112.192 161.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -80.59 -39.95 26.64 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.182 -0.949 . . . . 0.0 112.236 -169.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -64.82 -10.39 27.71 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -167.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.15 -48.54 48.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.32 -0.49 28.15 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.664 1.585 . . . . 0.0 113.057 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.19 -164.34 1.83 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.041 1.337 . . . . 0.0 111.809 -169.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -72.83 -57.46 4.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.293 1.037 . . . . 0.0 111.288 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.91 -110.67 3.61 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.063 1.792 . . . . 0.0 112.471 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.8 mt . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 126.736 2.015 . . . . 0.0 112.055 172.764 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.055 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.49 44.05 1.21 Allowed Glycine 0 N--CA 1.473 1.121 0 C-N-CA 127.156 2.313 . . . . 0.0 110.957 -175.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.11 -133.05 1.61 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.922 1.725 . . . . 0.0 110.364 -165.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -49.47 -23.66 1.66 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -60.86 -40.73 94.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 171.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.45 -27.89 68.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.307 1.043 . . . . 0.0 112.041 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.75 70.51 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.94 0.896 . . . . 0.0 112.559 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.54 -37.55 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.222 1.409 . . . . 0.0 111.443 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -68.56 -45.65 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.923 0.889 . . . . 0.0 112.475 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.067 1.347 . . . . 0.0 113.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.424 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 7.8 p -67.41 -32.65 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.21 -46.58 86.32 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 168.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.91 -36.4 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.122 -0.986 . . . . 0.0 113.364 -164.499 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 11.8 p90 -84.1 -29.45 26.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.043 0.838 . . . . 0.0 109.756 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -67.48 -31.23 71.24 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.008 -1.058 . . . . 0.0 112.005 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -83.62 -38.62 21.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.56 1.144 . . . . 0.0 112.236 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -34.68 28.46 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.933 1.293 . . . . 0.0 112.542 165.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.0 p -93.78 1.29 56.52 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.521 1.528 . . . . 0.0 114.829 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 29' ' ' ILE . 52.1 p -79.11 -14.55 59.06 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.93 -38.92 50.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 O-C-N 120.753 -1.217 . . . . 0.0 114.239 -155.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -125.04 14.19 8.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.508 1.523 . . . . 0.0 111.336 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.53 173.33 14.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.006 0.922 . . . . 0.0 113.16 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -59.67 -44.81 93.45 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.834 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -105.39 1.16 Allowed Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.6 1.572 . . . . 0.0 112.142 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 128.275 2.63 . . . . 0.0 114.272 174.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 119.419 -0.324 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.06 97.92 0.18 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 -144.18 8.82 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -158.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.29 -18.87 11.9 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -57.15 -35.96 70.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 169.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.49 -21.54 65.57 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.58 -0.7 . . . . 0.0 112.432 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.81 67.88 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.182 0.901 . . . . 0.0 113.356 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -79.27 -38.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.261 1.024 . . . . 0.0 111.476 173.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.86 -45.69 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.976 1.31 . . . . 0.0 113.269 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -52.61 -53.71 43.08 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.207 1.403 . . . . 0.0 112.698 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.99 -32.38 57.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.56 -46.22 86.89 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.852 0.751 . . . . 0.0 109.399 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.281 0.5 OUTLIER -72.67 -19.64 61.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.653 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.306 24.3 p90 -94.55 -33.95 12.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 164.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 m -53.36 -38.8 63.65 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.004 -1.06 . . . . 0.0 113.006 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -74.86 -43.83 52.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.205 1.002 . . . . 0.0 110.7 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -30.74 54.42 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.504 1.921 . . . . 0.0 113.852 167.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 t -79.91 -40.34 28.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.086 0.954 . . . . 0.0 112.106 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -65.75 -7.78 17.62 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -162.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -31.87 6.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 126.742 2.017 . . . . 0.0 113.698 174.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -98.89 -12.77 20.43 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.745 1.218 . . . . 0.0 113.277 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.01 -165.39 1.35 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.694 1.198 . . . . 0.0 111.73 -162.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -72.03 -55.25 7.72 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.674 0.79 . . . . 0.0 111.666 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.22 -112.98 5.45 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.043 0.83 . . . . 0.0 112.533 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 128.668 2.787 . . . . 0.0 113.875 175.078 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.81 -1.48 0.28 Allowed Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.408 1.48 . . . . 0.0 115.336 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 -137.12 2.23 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.718 1.628 . . . . 0.0 112.031 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 m -52.78 -20.0 2.89 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -54.75 -40.38 69.27 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.262 0.937 . . . . 0.0 113.142 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -68.39 -21.56 64.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.057 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -22.95 63.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.279 1.032 . . . . 0.0 112.819 169.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.19 -42.67 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.426 -0.796 . . . . 0.0 110.293 173.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.04 -39.73 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.588 -0.695 . . . . 0.0 112.426 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.8 m -53.26 -56.3 17.64 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.4 p -66.59 -32.9 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.79 -47.11 84.88 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -31.5 68.82 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -166.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 10.5 p90 -90.54 -30.01 17.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.443 0.565 . . . . 0.0 110.462 177.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -61.08 -37.1 81.51 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.906 -1.121 . . . . 0.0 112.437 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -70.52 -47.04 62.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.784 1.234 . . . . 0.0 111.325 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -36.58 50.76 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.527 1.531 . . . . 0.0 112.644 167.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -89.35 -19.27 25.46 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.2 t -59.27 -17.15 26.12 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -72.8 -62.12 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.209 1.404 . . . . 0.0 113.966 164.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -77.61 -8.6 58.12 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.22 -179.18 7.83 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.559 1.544 . . . . 0.0 111.461 -167.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -57.17 -47.7 80.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.1 -122.05 20.33 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 125.269 1.414 . . . . 0.0 113.365 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 N--CA 1.467 0.41 0 C-N-CA 128.527 2.731 . . . . 0.0 113.515 -174.702 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.551 0.997 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.23 62.02 0.48 Allowed Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.686 1.612 . . . . 0.0 109.591 -170.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 -130.34 1.28 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -161.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.57 -31.22 23.77 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -53.94 -37.94 64.39 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.8 -26.99 69.0 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.184 -0.948 . . . . 0.0 111.899 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.51 72.24 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.815 0.734 . . . . 0.0 112.666 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.68 -44.31 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.484 1.514 . . . . 0.0 111.302 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.55 -45.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.314 1.446 . . . . 0.0 111.013 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.86 -54.16 50.28 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 125.973 1.709 . . . . 0.0 113.643 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.89 -34.44 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 O-C-N 121.346 -0.846 . . . . 0.0 113.183 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 tp -67.42 -37.25 82.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.029 0.532 . . . . 0.0 109.857 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.265 0.3 OUTLIER -69.27 -42.09 76.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.996 -1.065 . . . . 0.0 112.299 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -83.47 -31.85 26.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -57.0 -36.24 70.16 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.136 -0.978 . . . . 0.0 113.081 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -74.22 -42.24 60.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.429 1.492 . . . . 0.0 111.907 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.97 70.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.987 1.715 . . . . 0.0 112.54 167.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -80.68 -41.85 23.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.177 0.991 . . . . 0.0 110.914 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t -67.62 3.64 1.33 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -165.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.56 -43.6 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 126.958 2.103 . . . . 0.0 112.654 171.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -93.74 -7.84 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.484 1.914 . . . . 0.0 113.127 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.42 -174.13 3.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.169 2.188 . . . . 0.0 110.551 -167.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -64.16 -50.07 69.6 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.004 0.922 . . . . 0.0 112.554 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.69 -126.24 38.83 Favored Glycine 0 CA--C 1.539 1.536 0 O-C-N 121.647 -0.658 . . . . 0.0 112.319 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 127.383 2.273 . . . . 0.0 113.174 176.615 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 ttp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.0 mtp-105 -45.93 124.68 5.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.223 1.809 . . . . 0.0 115.191 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -90.25 -9.14 49.1 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.136 1.902 . . . . 0.0 116.136 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -91.78 149.95 21.34 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.405 1.082 . . . . 0.0 112.095 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.06 -140.64 0.09 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.109 0.964 . . . . 0.0 112.845 -167.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.28 104.5 0.27 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 106.38 -2.688 . . . . 0.0 106.38 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.63 -153.12 18.09 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -159.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m -54.79 -21.04 9.88 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 165.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.1 -35.51 62.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.877 1.271 . . . . 0.0 113.152 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -21.67 66.39 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.555 -0.716 . . . . 0.0 112.504 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.46 67.3 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.737 1.153 . . . . 0.0 113.375 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -78.38 -38.13 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.566 1.146 . . . . 0.0 111.25 172.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.72 -47.95 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.299 1.44 . . . . 0.0 112.79 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.0 m -52.44 -53.65 42.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.123 1.369 . . . . 0.0 113.855 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.58 -35.06 74.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 tp -63.77 -45.79 88.21 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.273 0.4 OUTLIER -70.14 -24.62 63.2 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.228 -0.891 . . . . 0.0 113.363 -171.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.258 25.5 p90 -90.84 -33.65 15.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 167.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 m -55.57 -45.88 77.27 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.005 -1.059 . . . . 0.0 111.943 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -69.16 -46.51 67.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.534 1.134 . . . . 0.0 110.882 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.54 -34.9 27.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.951 2.501 . . . . 0.0 113.686 169.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -85.75 -39.12 17.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 112.564 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -65.5 -13.12 58.16 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 -161.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -72.04 -41.55 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -104.01 -12.08 17.01 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.456 1.903 . . . . 0.0 113.24 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.45 -171.13 3.81 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.65 1.58 . . . . 0.0 110.78 -164.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -71.56 -55.71 7.28 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.228 -0.92 . . . . 0.0 111.591 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -110.01 3.21 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 123.748 0.69 . . . . 0.0 112.958 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -42.48 136.74 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.053 1.741 . . . . 0.0 110.811 164.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.6 tttp . . . . . 0 C--O 1.254 1.303 0 CA-C-O 116.706 -1.616 . . . . 0.0 112.031 -166.685 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.0 mtm . . . . . 0 N--CA 1.476 0.86 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -148.33 145.68 28.23 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.567 1.547 . . . . 0.0 112.269 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -84.44 -9.74 58.12 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.932 1.293 . . . . 0.0 113.678 163.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -102.14 153.43 19.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.966 1.707 . . . . 0.0 112.416 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.84 -151.16 0.34 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.856 1.662 . . . . 0.0 110.467 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.14 62.58 0.53 Allowed Glycine 0 N--CA 1.467 0.751 0 C-N-CA 126.356 1.931 . . . . 0.0 109.085 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.87 -134.09 1.59 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.891 1.71 . . . . 0.0 110.807 -166.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.8 m -52.27 -27.88 16.73 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.356 1.614 . . . . 0.0 115.356 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.65 -36.45 62.09 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.2 mt -65.51 -22.89 66.77 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.518 -0.738 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -27.61 68.69 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.413 1.006 . . . . 0.0 112.868 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.75 -44.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 110.951 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.77 -42.97 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.511 1.124 . . . . 0.0 113.144 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.5 m -53.05 -57.94 8.69 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 125.442 1.497 . . . . 0.0 113.192 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.31 -27.48 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 120.878 -1.139 . . . . 0.0 113.102 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 tp -75.24 -14.29 60.51 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.215 1.006 . . . . 0.0 113.357 172.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.01 -46.71 4.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 113.82 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -79.33 -24.46 42.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.895 -1.128 . . . . 0.0 111.155 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m -54.53 -31.56 56.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.416 1.086 . . . . 0.0 113.482 167.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -78.2 -41.19 35.28 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.734 1.213 . . . . 0.0 111.339 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.11 -44.92 71.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.2 1.4 . . . . 0.0 112.459 159.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -82.77 -21.99 34.45 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -167.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -12.87 11.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.002 1.721 . . . . 0.0 114.706 -171.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.3 m -75.29 -33.02 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.716 1.607 . . . . 0.0 114.242 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -113.0 4.62 16.82 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.538 1.535 . . . . 0.0 112.648 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.72 177.66 10.23 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -168.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -53.5 -45.74 69.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.024 1.33 . . . . 0.0 113.558 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.18 -108.16 0.52 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.11 1.338 . . . . 0.0 114.351 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.62 146.18 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 126.737 2.015 . . . . 0.0 112.404 -175.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp . . . . . 0 C--O 1.253 1.252 0 C-N-CA 127.482 2.313 . . . . 0.0 113.665 175.182 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 119.426 -0.321 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -60.21 132.02 52.63 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.275 0.63 . . . . 0.0 111.618 168.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -70.79 -11.58 61.04 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -125.1 159.18 32.04 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.787 1.635 . . . . 0.0 111.232 -170.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -158.29 -143.63 0.11 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.926 1.29 . . . . 0.0 111.285 -173.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.72 68.03 0.42 Allowed Glycine 0 N--CA 1.465 0.604 0 C-N-CA 125.924 1.725 . . . . 0.0 109.369 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.21 -146.93 5.23 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.929 1.252 . . . . 0.0 110.847 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.9 m -57.93 -10.36 1.74 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.02 -40.51 73.51 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.096 -1.003 . . . . 0.0 112.809 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.92 -11.04 54.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.844 -1.074 . . . . 0.0 113.347 177.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -18.38 61.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.996 1.726 . . . . 0.0 113.023 170.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.19 -37.7 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.331 1.452 . . . . 0.0 111.455 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 t -77.29 -36.08 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.301 1.441 . . . . 0.0 113.485 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.5 m -51.47 -50.45 59.81 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.627 1.571 . . . . 0.0 114.086 -178.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.92 -30.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.66 -30.81 69.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.953 0.901 . . . . 0.0 111.842 167.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.264 0.3 OUTLIER -86.8 -36.74 18.37 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -176.031 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.251 25.0 p90 -77.46 -40.1 44.39 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.052 1.296 . . . . 0.0 113.605 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -56.36 -9.66 0.74 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.215 1.806 . . . . 0.0 115.194 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -69.12 -43.25 74.82 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.301 2.241 . . . . 0.0 111.443 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.02 54.67 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.186 1.794 . . . . 0.0 113.866 173.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -85.86 -39.61 16.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.694 1.597 . . . . 0.0 111.756 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.5 p -61.47 -13.6 22.01 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -165.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 m -89.6 -40.59 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 125.813 1.645 . . . . 0.0 112.347 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -95.38 -5.24 43.74 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.031 1.732 . . . . 0.0 113.565 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.67 -165.69 1.2 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.161 1.784 . . . . 0.0 111.857 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.53 -44.87 33.18 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.896 0.878 . . . . 0.0 112.036 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.08 -124.77 33.06 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.043 0.83 . . . . 0.0 113.051 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.59 154.17 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.555 1.542 . . . . 0.0 114.116 175.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 C--O 1.256 1.433 0 C-N-CA 124.53 1.132 . . . . 0.0 112.186 175.912 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 ttp . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -81.34 148.22 29.47 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.198 1.799 . . . . 0.0 112.222 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -78.51 -18.96 53.99 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.597 1.559 . . . . 0.0 112.593 166.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -108.34 154.16 22.23 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.4 1.88 . . . . 0.0 113.829 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -163.49 -138.19 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.653 1.981 . . . . 0.0 109.514 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.5 -3.5 0.72 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 116.614 1.405 . . . . 0.0 116.614 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.97 -119.21 1.67 Allowed Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.769 1.285 . . . . 0.0 113.631 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m -53.63 -26.94 24.38 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 172.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.67 -40.92 66.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 113.313 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.62 -18.57 62.87 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.8 -1.188 . . . . 0.0 112.752 -173.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.26 58.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.889 0.876 . . . . 0.0 112.596 169.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.83 -37.98 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.492 0.717 . . . . 0.0 110.886 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -70.07 -34.43 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.168 0.987 . . . . 0.0 113.027 172.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 m -55.41 -51.75 65.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.39 -31.64 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.35 -49.72 76.46 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.304 0.4 OUTLIER -68.6 -26.61 65.46 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -169.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.27 23.7 p90 -90.63 -33.79 15.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 m -55.78 -37.48 68.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.843 -1.161 . . . . 0.0 112.184 174.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.34 -45.17 81.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.2 1.4 . . . . 0.0 111.606 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -33.64 66.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 113.464 171.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.2 t -80.84 -35.36 32.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.117 0.967 . . . . 0.0 112.414 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -65.88 -5.17 8.35 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -167.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.75 -43.52 69.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 120.208 -1.558 . . . . 0.0 114.445 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -109.2 -2.17 18.18 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.692 1.197 . . . . 0.0 112.963 -178.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.27 -171.32 3.56 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.609 1.164 . . . . 0.0 111.874 -163.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -65.72 -57.13 8.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.95 -106.02 1.0 Allowed Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.979 0.8 . . . . 0.0 112.046 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.9 mt -38.22 126.41 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 127.885 2.474 . . . . 0.0 112.423 168.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp . . . . . 0 C--O 1.248 0.976 0 C-N-CA 125.914 1.686 . . . . 0.0 111.47 -178.807 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.8 tpp . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -86.3 121.73 29.29 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.268 1.027 . . . . 0.0 110.831 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -93.14 24.56 3.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.396 1.878 . . . . 0.0 113.751 -166.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -113.69 137.65 51.31 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.35 1.06 . . . . 0.0 112.477 -166.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.85 -139.46 0.08 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.121 2.168 . . . . 0.0 109.222 -171.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.36 -10.22 1.94 Allowed Glycine 0 N--CA 1.477 1.41 0 CA-C-N 121.144 1.793 . . . . 0.0 115.953 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -139.75 2.1 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.945 1.259 . . . . 0.0 113.538 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 m -52.37 -16.23 0.82 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -53.18 -42.63 66.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.24 0.927 . . . . 0.0 113.379 163.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.53 -16.08 63.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.9 1.28 . . . . 0.0 113.578 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.72 -24.03 65.36 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 113.021 166.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.95 -36.54 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.656 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.1 -40.94 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.973 0.909 . . . . 0.0 111.578 172.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.03 -53.91 36.26 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.456 1.102 . . . . 0.0 113.481 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.85 -22.94 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.04 -50.85 60.62 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.501 -0.749 . . . . 0.0 109.631 160.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -36.51 78.37 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -164.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -85.05 -30.48 24.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.043 0.838 . . . . 0.0 110.88 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -60.13 -36.44 77.5 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.031 -1.043 . . . . 0.0 112.686 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -67.19 -47.35 71.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.007 1.323 . . . . 0.0 110.983 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -34.98 64.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.059 1.744 . . . . 0.0 113.257 168.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -91.14 -23.62 20.22 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.5 t -62.54 -7.91 5.44 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -173.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -80.28 -34.83 15.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 126.396 1.878 . . . . 0.0 114.288 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -107.49 3.0 24.58 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.496 1.918 . . . . 0.0 113.289 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.47 -177.57 5.35 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.73 1.612 . . . . 0.0 111.47 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -61.24 -52.19 65.78 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.006 -1.059 . . . . 0.0 111.357 167.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.39 -97.18 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.517 2.008 . . . . 0.0 113.095 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.2 mt -49.97 142.76 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.228 1.811 . . . . 0.0 112.385 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.301 1.44 . . . . 0.0 113.089 177.632 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 tpp . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.179 0.038 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -54.03 144.59 18.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.315 1.446 . . . . 0.0 112.318 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -88.27 129.42 35.37 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.533 1.533 . . . . 0.0 110.84 176.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.6 m170 57.88 58.33 3.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.962 1.705 . . . . 0.0 114.477 173.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.555 HD23 ' H ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -70.29 -137.66 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 127.559 2.344 . . . . 0.0 113.815 177.56 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.85 4.29 1.87 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.583 1.564 . . . . 0.0 114.895 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.49 -137.85 3.29 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.282 1.42 . . . . 0.0 112.057 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.5 -20.97 3.27 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -56.02 -41.93 75.68 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 168.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.74 -20.36 65.23 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.819 -1.175 . . . . 0.0 112.789 -172.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -21.51 64.71 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.287 1.035 . . . . 0.0 113.366 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.71 -41.97 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 121.378 -0.826 . . . . 0.0 110.297 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.18 -36.9 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.615 1.166 . . . . 0.0 112.137 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.46 -58.31 7.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 124.785 1.234 . . . . 0.0 113.475 174.116 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.967 -1.083 . . . . 0.0 112.043 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.35 -20.02 65.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.751 0.82 . . . . 0.0 112.158 171.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.3 OUTLIER -95.15 -38.31 10.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.351 1.46 . . . . 0.0 113.874 175.029 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -93.5 -41.48 9.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.871 1.669 . . . . 0.0 112.93 -174.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -73.28 -18.54 61.2 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.75 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.08 -45.17 43.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 112.495 166.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -29.96 28.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.023 1.729 . . . . 0.0 113.483 168.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -78.26 -45.17 23.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.02 1.328 . . . . 0.0 111.268 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -54.35 -15.73 1.8 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 -162.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 m -86.87 -28.86 5.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 126.397 1.879 . . . . 0.0 114.527 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -125.2 6.46 7.82 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 112.499 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.36 176.54 12.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.387 1.075 . . . . 0.0 112.349 -169.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -63.57 -52.23 61.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.898 0.879 . . . . 0.0 111.918 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.22 -129.61 46.0 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.03 0.824 . . . . 0.0 112.305 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.37 145.62 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.305 1.442 . . . . 0.0 114.688 175.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 mttm . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.134 1.774 . . . . 0.0 113.775 -177.469 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 118.774 -0.632 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.9 ttm-85 -45.31 115.61 0.96 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.472 1.509 . . . . 0.0 112.922 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -77.27 -32.06 55.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 -168.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -111.94 172.58 6.82 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.738 1.615 . . . . 0.0 113.977 -169.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -140.87 -146.28 0.19 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.732 2.013 . . . . 0.0 111.191 -160.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.31 64.29 0.29 Allowed Glycine 0 N--CA 1.472 1.053 0 CA-C-N 121.681 2.037 . . . . 0.0 111.723 -160.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.12 -128.47 1.05 Allowed Glycine 0 CA--C 1.537 1.469 0 C-N-CA 123.517 0.58 . . . . 0.0 112.501 -171.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 96.9 m -48.29 -30.12 4.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.186 1.795 . . . . 0.0 114.859 170.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.01 -40.51 85.14 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.62 -14.73 63.21 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.844 -1.16 . . . . 0.0 112.854 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.38 -36.43 61.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.899 0.772 . . . . 0.0 111.746 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.78 -43.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.86 1.264 . . . . 0.0 111.504 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -64.42 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.496 -0.753 . . . . 0.0 111.597 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.4 m -60.99 -51.03 71.0 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.426 1.49 . . . . 0.0 114.359 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.32 -32.32 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.271 -0.893 . . . . 0.0 113.222 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.11 -46.04 90.79 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.2 OUTLIER -64.1 -42.01 97.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.845 -176.171 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.256 11.0 p90 -82.32 -26.45 33.01 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 m -61.1 -46.57 90.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.789 0.836 . . . . 0.0 111.464 169.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -72.31 -37.88 68.83 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.527 1.131 . . . . 0.0 112.086 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -31.68 63.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.931 1.692 . . . . 0.0 113.342 166.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -87.86 -40.18 14.21 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.35 0.66 . . . . 0.0 112.0 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.3 t -62.93 -15.43 55.41 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -166.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.56 -26.17 30.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 120.02 -1.675 . . . . 0.0 115.11 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -125.02 3.51 8.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.931 2.092 . . . . 0.0 112.687 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.02 -173.19 4.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.47 0.708 . . . . 0.0 112.686 -168.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -60.3 -60.93 3.03 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.122 0.569 . . . . 0.0 112.268 162.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.28 -107.51 1.63 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.6 mt -44.4 117.7 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 126.639 1.976 . . . . 0.0 111.556 165.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 tttm . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.426 1.49 . . . . 0.0 111.478 -172.853 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 119.639 -0.22 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -150.67 161.8 41.91 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.243 2.217 . . . . 0.0 110.542 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -69.04 -19.42 64.1 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.894 1.677 . . . . 0.0 114.893 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -71.46 161.84 30.4 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.888 2.075 . . . . 0.0 114.474 -171.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.94 -149.11 0.29 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.347 1.459 . . . . 0.0 112.264 -176.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.4 37.48 1.84 Allowed Glycine 0 N--CA 1.476 1.308 0 C-N-CA 125.763 1.649 . . . . 0.0 113.339 -169.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.13 -134.25 2.62 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.739 1.638 . . . . 0.0 110.731 -164.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.6 m -51.47 -26.81 8.9 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 174.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -56.6 -38.98 72.77 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 171.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.58 -19.94 62.75 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.48 -0.772 . . . . 0.0 112.124 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.9 66.17 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.84 1.2 . . . . 0.0 113.193 172.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.79 -34.25 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.399 1.479 . . . . 0.0 111.613 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -76.79 -36.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.944 0.898 . . . . 0.0 112.966 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.1 m -55.51 -48.8 74.06 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 126.127 1.771 . . . . 0.0 113.912 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -30.63 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 O-C-N 121.514 -0.741 . . . . 0.0 112.96 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.42 -49.92 75.65 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.283 0.3 OUTLIER -67.31 -30.49 70.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -170.835 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.292 29.1 p90 -84.98 -32.4 23.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 171.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -56.23 -35.48 67.4 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.386 -0.821 . . . . 0.0 112.431 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -76.13 -41.28 50.58 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.612 1.565 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -34.7 65.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.641 1.976 . . . . 0.0 112.474 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -80.98 -46.06 15.66 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.987 . . . . 0.0 111.56 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 t -58.31 -23.28 56.0 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 -164.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.63 -48.81 39.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.45 -10.45 51.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.279 1.832 . . . . 0.0 113.863 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.75 -168.99 1.42 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.982 1.313 . . . . 0.0 112.35 -159.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -71.67 -43.83 65.33 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.74 -128.5 39.89 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 125.62 1.581 . . . . 0.0 116.208 167.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt -32.87 114.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 128.279 2.632 . . . . 0.0 111.71 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.7 tttt . . . . . 0 C--O 1.252 1.187 0 CA-C-O 116.838 -1.553 . . . . 0.0 114.403 -158.051 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -56.83 147.99 21.89 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.113 1.765 . . . . 0.0 113.851 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -75.54 -29.29 59.36 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.703 1.201 . . . . 0.0 113.945 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -112.28 68.55 0.67 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.246 2.218 . . . . 0.0 109.807 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.534 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.1 pt? -74.59 -140.07 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.48 1.912 . . . . 0.0 112.794 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.23 5.83 1.93 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.651 1.596 . . . . 0.0 114.32 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.77 -141.32 3.43 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.701 1.143 . . . . 0.0 111.57 163.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -55.02 -10.45 0.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 117.709 2.485 . . . . 0.0 117.709 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -58.06 -42.6 85.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.155 0.978 . . . . 0.0 112.869 165.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.66 -21.61 62.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.156 0.983 . . . . 0.0 112.69 -167.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.03 -27.93 21.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.292 1.437 . . . . 0.0 113.452 168.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mt -84.51 -30.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.563 1.145 . . . . 0.0 111.769 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.36 -36.94 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.735 1.214 . . . . 0.0 113.336 167.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 m -55.82 -52.83 62.64 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.076 1.35 . . . . 0.0 113.61 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.15 -34.08 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.01 -29.7 70.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.784 0.834 . . . . 0.0 111.905 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.26 0.3 OUTLIER -89.68 -29.88 18.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.103 1.361 . . . . 0.0 113.925 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.317 23.3 p90 -88.3 -41.82 12.64 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -3.89 11.47 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-O 122.232 1.015 . . . . 0.0 113.391 -173.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -59.84 -35.82 75.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.824 2.45 . . . . 0.0 112.841 162.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -25.91 67.73 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.612 1.165 . . . . 0.0 113.5 169.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -80.96 -44.97 17.37 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.549 -0.72 . . . . 0.0 111.204 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.1 t -53.11 -24.36 10.13 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -168.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -78.48 -29.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 120.385 -1.447 . . . . 0.0 113.446 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -110.28 -3.04 16.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.87 -171.32 2.44 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.06 0.944 . . . . 0.0 112.871 -163.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -65.88 -53.33 41.08 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.817 1.247 . . . . 0.0 113.76 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 -139.33 37.44 Favored Glycine 0 N--CA 1.474 1.218 0 C-N-CA 124.035 0.826 . . . . 0.0 114.281 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.02 145.21 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.661 1.184 . . . . 0.0 113.736 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.0 tptp . . . . . 0 C--O 1.255 1.366 0 C-N-CA 124.615 1.166 . . . . 0.0 111.99 179.123 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -57.6 126.28 26.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.317 1.047 . . . . 0.0 111.471 170.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -142.22 -15.07 0.78 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -96.0 158.57 15.39 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.577 1.551 . . . . 0.0 111.225 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.21 -145.42 0.11 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.565 1.146 . . . . 0.0 111.303 -170.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.09 89.38 0.14 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 107.233 -2.347 . . . . 0.0 107.233 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.87 -155.17 20.25 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.382 0.991 . . . . 0.0 110.975 -160.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.5 m -47.67 -24.49 0.93 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -53.62 -38.67 64.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.434 1.094 . . . . 0.0 113.408 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.73 -18.69 64.29 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.122 -0.986 . . . . 0.0 113.041 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.13 -32.89 70.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.5 1.045 . . . . 0.0 111.843 173.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -73.75 -37.43 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.78 1.232 . . . . 0.0 111.226 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -70.42 -42.62 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.487 1.115 . . . . 0.0 111.894 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -54.89 -52.95 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.911 1.285 . . . . 0.0 113.422 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.6 p -68.04 -30.75 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.87 -46.29 85.58 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 168.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.266 0.4 OUTLIER -68.53 -31.54 70.85 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.883 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 24.5 p90 -88.58 -33.75 17.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.564 0.62 . . . . 0.0 111.676 175.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -60.76 -38.82 86.51 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.749 -1.219 . . . . 0.0 112.694 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -72.99 -41.95 63.78 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.662 1.185 . . . . 0.0 111.649 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -27.61 53.93 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.317 1.847 . . . . 0.0 113.592 166.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.5 t -91.39 -44.48 9.12 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB2' ' H ' ' A' ' 29' ' ' ILE . 1.6 t -64.33 -14.38 55.84 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -160.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.94 -31.72 48.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 126.897 2.079 . . . . 0.0 114.983 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -120.3 -0.3 10.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.349 1.46 . . . . 0.0 112.493 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.47 -166.38 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.169 1.388 . . . . 0.0 112.197 -166.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -72.57 -57.38 4.19 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.212 1.005 . . . . 0.0 111.759 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.29 -113.61 5.62 Favored Glycine 0 CA--C 1.542 1.719 0 O-C-N 121.088 -1.008 . . . . 0.0 113.653 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' H ' ' HB2' ' A' ' 23' ' ' SER . 78.4 mt -44.3 133.12 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 128.166 2.586 . . . . 0.0 112.991 171.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.929 1.692 . . . . 0.0 112.822 174.5 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -60.09 131.21 50.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.233 1.013 . . . . 0.0 113.012 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -133.66 -5.02 2.87 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.806 2.042 . . . . 0.0 114.573 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -99.77 156.78 16.92 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.211 1.405 . . . . 0.0 113.009 173.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -161.27 -139.41 0.05 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.206 1.803 . . . . 0.0 110.505 -166.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.19 2.82 0.85 Allowed Glycine 0 CA--C 1.542 1.765 0 CA-C-N 120.121 1.328 . . . . 0.0 116.011 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.03 -138.25 1.86 Allowed Glycine 0 CA--C 1.537 1.44 0 CA-C-N 118.905 1.353 . . . . 0.0 113.235 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.9 m -46.95 -24.89 0.68 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.007 1.723 . . . . 0.0 115.543 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -43.29 67.45 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 169.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.84 -19.19 64.25 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.106 0.962 . . . . 0.0 112.645 -169.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.77 -20.85 53.41 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.71 1.204 . . . . 0.0 113.281 168.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.43 -44.87 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.264 -0.898 . . . . 0.0 110.319 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.54 -40.95 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.635 0.774 . . . . 0.0 112.963 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -55.16 -59.63 4.5 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.269 1.028 . . . . 0.0 113.357 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 9.6 p -63.62 -32.6 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.43 -48.36 80.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.286 0.5 OUTLIER -70.06 -24.3 63.22 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 117.688 -1.149 . . . . 0.0 113.638 -169.378 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 29.2 p90 -95.74 -40.08 9.55 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 172.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -64.3 -32.58 74.24 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.478 -1.389 . . . . 0.0 111.759 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -64.91 -48.41 74.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.716 1.206 . . . . 0.0 111.876 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -35.07 29.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.209 1.804 . . . . 0.0 112.639 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t -84.58 -35.22 22.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 0.0 112.013 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 t -59.42 -18.33 38.24 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -170.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -62.48 -61.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 120.975 -1.078 . . . . 0.0 113.432 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -88.54 -8.27 55.07 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.91 -173.42 4.57 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.02 0.928 . . . . 0.0 113.067 -161.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.33 -44.58 87.35 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.47 -117.24 6.14 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.18 0.895 . . . . 0.0 113.314 172.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mt -39.0 135.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 128.126 2.571 . . . . 0.0 114.691 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 C--O 1.256 1.398 0 C-N-CA 126.418 1.887 . . . . 0.0 110.475 164.461 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.4 mtm . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -149.57 149.44 30.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.972 1.309 . . . . 0.0 112.1 173.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.42 -47.74 82.75 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.871 1.269 . . . . 0.0 113.958 -169.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -96.08 172.46 7.98 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.861 1.664 . . . . 0.0 112.203 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -156.36 -141.1 0.09 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.324 1.45 . . . . 0.0 109.784 -170.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.68 -0.42 1.78 Allowed Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.058 1.314 . . . . 0.0 115.194 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.07 -131.77 0.77 Allowed Glycine 0 CA--C 1.538 1.49 0 CA-C-N 119.216 1.508 . . . . 0.0 113.781 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -53.56 -25.69 18.23 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 174.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -54.02 -42.87 69.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.466 1.106 . . . . 0.0 113.556 171.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.19 -23.99 63.99 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.228 -0.92 . . . . 0.0 112.204 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -16.82 61.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.426 1.091 . . . . 0.0 113.829 170.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.09 -45.76 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 109.665 170.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.76 -42.23 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.7 m -51.85 -60.22 3.43 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 113.179 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.32 -27.05 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.46 -40.79 97.77 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.867 167.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -42.75 12.56 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -166.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -78.99 -31.08 44.72 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.409 1.459 . . . . 0.0 109.519 -173.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 m -58.07 -28.0 64.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 113.157 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.98 -51.35 18.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.922 0.889 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -33.9 45.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.965 1.706 . . . . 0.0 112.748 169.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -88.96 -19.44 25.73 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -173.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -7.6 4.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.931 1.692 . . . . 0.0 114.667 -170.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.27 -41.69 20.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 126.558 1.943 . . . . 0.0 113.578 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -97.59 -1.23 44.29 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.307 1.843 . . . . 0.0 113.704 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.82 -179.14 7.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.736 0.815 . . . . 0.0 112.558 -165.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.92 -43.22 86.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.88 0.872 . . . . 0.0 112.293 166.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.24 -107.04 0.5 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 126.574 2.035 . . . . 0.0 113.608 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.6 mt -50.4 124.59 3.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 127.016 2.126 . . . . 0.0 111.611 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? . . . . . 0 C--O 1.25 1.088 0 C-N-CA 125.618 1.567 . . . . 0.0 111.492 -173.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.23 150.52 39.3 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.926 1.691 . . . . 0.0 111.366 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -147.85 -3.87 0.51 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -170.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -96.46 163.37 13.08 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -167.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -148.01 -151.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.935 2.094 . . . . 0.0 109.882 -166.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.81 9.72 1.61 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-N 119.483 1.038 . . . . 0.0 115.418 -172.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.5 -132.4 1.38 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.514 1.53 . . . . 0.0 113.348 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.1 m -49.06 -28.39 4.06 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -54.41 -43.18 71.28 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.493 1.517 . . . . 0.0 113.77 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.7 tp -68.87 -26.66 65.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.311 -0.868 . . . . 0.0 112.367 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.5 -22.24 64.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.127 0.971 . . . . 0.0 112.859 172.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.0 -39.85 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 118.695 0.679 . . . . 0.0 111.255 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.21 -42.8 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.9 0.88 . . . . 0.0 112.893 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -54.7 -49.85 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.0 p -72.6 -32.42 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.33 -45.34 94.84 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.8 OUTLIER -74.56 -18.91 60.51 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -166.006 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 25.0 p90 -98.29 -35.28 10.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.909 0.777 . . . . 0.0 111.281 169.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 m -59.59 -37.33 78.25 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.931 -1.106 . . . . 0.0 112.988 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -68.77 -45.39 71.49 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.674 1.189 . . . . 0.0 111.974 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -35.98 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.516 1.926 . . . . 0.0 112.632 170.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 t -72.57 -40.17 66.82 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.924 0.89 . . . . 0.0 111.556 -176.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -66.41 -2.06 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -161.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.4 -36.95 7.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 125.984 1.714 . . . . 0.0 114.085 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -100.1 -3.43 31.88 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.028 1.731 . . . . 0.0 113.61 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.37 -173.33 2.78 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.364 2.266 . . . . 0.0 110.27 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.79 -51.78 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.874 -1.141 . . . . 0.0 113.356 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.55 -109.74 3.08 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 119.405 1.002 . . . . 0.0 114.36 167.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.0 mt -42.75 129.51 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 127.306 2.243 . . . . 0.0 113.412 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 C--O 1.254 1.33 0 CA-C-O 116.584 -1.674 . . . . 0.0 112.744 178.843 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -58.44 141.87 50.32 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.366 1.066 . . . . 0.0 113.414 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -67.92 -31.57 71.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.349 1.86 . . . . 0.0 111.89 168.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 60.3 m-70 -85.68 143.84 28.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 127.524 2.33 . . . . 0.0 111.479 178.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -141.98 -146.53 0.19 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.45 1.1 . . . . 0.0 112.007 -165.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.03 69.46 0.38 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 -145.68 4.33 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.108 1.337 . . . . 0.0 110.518 -168.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.5 m -53.84 -23.92 13.97 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 167.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -52.25 -36.24 51.96 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 173.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.74 -21.9 66.64 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.154 -0.966 . . . . 0.0 112.719 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.3 67.31 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.821 1.191 . . . . 0.0 112.925 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.05 -34.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.006 1.322 . . . . 0.0 111.51 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 t -74.94 -38.54 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.876 1.271 . . . . 0.0 112.502 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -56.85 -53.93 52.24 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 126.465 1.906 . . . . 0.0 113.133 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 p -62.47 -32.45 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 121.266 -0.896 . . . . 0.0 113.098 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.29 -14.28 61.28 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.623 1.169 . . . . 0.0 113.302 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 0.3 OUTLIER -94.27 -43.24 8.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.013 1.325 . . . . 0.0 113.352 175.122 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -87.66 -29.24 21.31 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.341 1.428 . . . . 0.0 110.554 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -57.97 -23.92 55.86 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -75.95 -50.58 14.54 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.461 1.504 . . . . 0.0 112.08 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.85 64.91 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.979 1.712 . . . . 0.0 111.629 162.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -85.92 7.91 22.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.693 0.797 . . . . 0.0 112.292 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -112.22 21.14 16.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.568 2.347 . . . . 0.0 111.435 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.86 -75.43 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.196 1.798 . . . . 0.0 108.137 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -87.25 8.17 25.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.332 1.853 . . . . 0.0 113.898 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.73 178.93 8.86 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.193 1.797 . . . . 0.0 110.807 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.26 -55.2 8.55 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.92 -97.49 0.43 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.318 0.961 . . . . 0.0 115.301 171.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -52.83 140.74 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 126.494 1.917 . . . . 0.0 111.861 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.868 1.667 . . . . 0.0 112.816 -178.68 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 tpp . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -125.38 145.49 50.02 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.116 0.967 . . . . 0.0 113.215 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -76.93 23.15 0.18 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.502 1.521 . . . . 0.0 114.872 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -118.01 131.13 56.5 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.678 1.191 . . . . 0.0 111.925 -164.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.1 -135.09 0.05 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.265 1.826 . . . . 0.0 110.279 -168.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.86 3.82 2.61 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.196 1.379 . . . . 0.0 115.171 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 -137.52 2.54 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.333 1.92 . . . . 0.0 113.873 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.98 -25.39 8.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.57 1.548 . . . . 0.0 114.466 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -53.35 -42.81 67.17 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 170.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.86 -22.65 65.11 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.07 -1.019 . . . . 0.0 112.49 -171.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -13.31 57.47 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.431 1.092 . . . . 0.0 113.784 170.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.83 -33.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.224 0.92 . . . . 0.0 111.608 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.52 -39.31 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.862 0.865 . . . . 0.0 112.097 168.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -49.43 -56.47 9.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 113.795 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.81 -31.19 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.78 -50.12 68.03 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 166.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.251 0.5 OUTLIER -68.21 -32.22 72.29 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -168.336 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -85.02 -35.03 22.19 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.948 0.795 . . . . 0.0 112.871 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 m -56.85 -39.92 75.14 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.163 -0.961 . . . . 0.0 112.178 173.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.25 -44.02 66.11 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.141 1.376 . . . . 0.0 111.806 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -34.04 65.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.866 1.266 . . . . 0.0 112.297 168.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 t -83.55 -40.34 19.25 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.077 0.951 . . . . 0.0 111.948 -171.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -57.03 -26.19 59.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -167.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.14 -40.36 44.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.335 1.454 . . . . 0.0 114.512 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -97.69 -6.03 33.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.664 1.585 . . . . 0.0 114.047 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.17 -156.24 0.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.789 1.235 . . . . 0.0 112.558 -163.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.46 -55.31 5.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.156 1.383 . . . . 0.0 112.953 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.25 -116.56 9.03 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.715 1.626 . . . . 0.0 112.968 174.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt -49.11 -46.43 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.226 1.81 . . . . 0.0 113.653 176.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.8 tttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 124.61 1.164 . . . . 0.0 114.038 -172.062 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 tpp . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -70.45 130.75 42.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.774 1.23 . . . . 0.0 112.578 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -61.69 -42.09 98.46 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.868 2.467 . . . . 0.0 113.807 172.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -80.56 156.72 26.33 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.302 1.841 . . . . 0.0 113.5 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.37 -149.16 0.14 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.711 1.604 . . . . 0.0 111.183 173.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.96 70.32 0.51 Allowed Glycine 0 C--N 1.337 0.612 0 C-N-CA 127.383 2.42 . . . . 0.0 108.861 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.18 -139.62 3.52 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.183 0.897 . . . . 0.0 111.572 -162.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 m -54.48 -18.4 4.23 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -62.55 -37.35 85.81 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 171.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.92 -21.19 66.78 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.059 -1.026 . . . . 0.0 112.586 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.41 66.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.29 -42.41 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.973 0.909 . . . . 0.0 110.853 169.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.72 -45.78 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.614 1.165 . . . . 0.0 113.199 -177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -55.52 -57.36 12.22 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.611 1.165 . . . . 0.0 113.151 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.32 -31.54 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.41 -47.68 80.96 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.5 OUTLIER -69.0 -32.87 72.72 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.762 -169.238 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -85.27 -33.99 22.03 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.3 m -55.02 -42.31 72.4 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.844 -1.16 . . . . 0.0 112.879 173.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.61 -36.73 60.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.139 1.375 . . . . 0.0 112.408 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -42.48 69.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.29 1.836 . . . . 0.0 112.192 161.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -80.59 -39.95 26.64 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.182 -0.949 . . . . 0.0 112.236 -169.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -64.82 -10.39 27.71 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -167.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.15 -48.54 48.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.32 -0.49 28.15 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.664 1.585 . . . . 0.0 113.057 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.19 -164.34 1.83 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.041 1.337 . . . . 0.0 111.809 -169.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -72.83 -57.46 4.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.293 1.037 . . . . 0.0 111.288 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.91 -110.67 3.61 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.063 1.792 . . . . 0.0 112.471 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.8 mt -42.65 125.12 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 126.736 2.015 . . . . 0.0 112.055 172.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 tttt . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.295 1.838 . . . . 0.0 110.428 176.091 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptm . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -98.25 -156.88 0.56 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.837 1.255 . . . . 0.0 111.822 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 58.82 70.41 0.65 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.811 2.044 . . . . 0.0 112.109 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -93.48 78.36 4.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.398 1.479 . . . . 0.0 111.556 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.65 -150.79 0.18 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.819 1.248 . . . . 0.0 113.109 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.49 44.05 1.21 Allowed Glycine 0 N--CA 1.473 1.121 0 C-N-CA 127.156 2.313 . . . . 0.0 110.957 -175.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.11 -133.05 1.61 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.922 1.725 . . . . 0.0 110.364 -165.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -49.47 -23.66 1.66 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -60.86 -40.73 94.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 171.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.45 -27.89 68.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.307 1.043 . . . . 0.0 112.041 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.75 70.51 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.94 0.896 . . . . 0.0 112.559 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.54 -37.55 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.222 1.409 . . . . 0.0 111.443 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -68.56 -45.65 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.923 0.889 . . . . 0.0 112.475 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.067 1.347 . . . . 0.0 113.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.424 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 7.8 p -67.41 -32.65 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.21 -46.58 86.32 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 168.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.91 -36.4 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.122 -0.986 . . . . 0.0 113.364 -164.499 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 11.8 p90 -84.1 -29.45 26.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.043 0.838 . . . . 0.0 109.756 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -67.48 -31.23 71.24 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.008 -1.058 . . . . 0.0 112.005 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -83.62 -38.62 21.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.56 1.144 . . . . 0.0 112.236 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -34.68 28.46 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.933 1.293 . . . . 0.0 112.542 165.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.0 p -93.78 1.29 56.52 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.521 1.528 . . . . 0.0 114.829 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 29' ' ' ILE . 52.1 p -79.11 -14.55 59.06 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.93 -38.92 50.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 O-C-N 120.753 -1.217 . . . . 0.0 114.239 -155.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -125.04 14.19 8.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.508 1.523 . . . . 0.0 111.336 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.53 173.33 14.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.006 0.922 . . . . 0.0 113.16 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -59.67 -44.81 93.45 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.834 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -105.39 1.16 Allowed Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.6 1.572 . . . . 0.0 112.142 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -43.35 135.51 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 128.275 2.63 . . . . 0.0 114.272 174.062 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.569 1.948 . . . . 0.0 114.678 -176.787 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -75.75 102.05 5.28 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.858 -1.151 . . . . 0.0 113.097 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -74.63 -7.08 52.08 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.929 1.291 . . . . 0.0 114.473 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -80.21 165.65 22.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.583 1.553 . . . . 0.0 112.671 -174.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.23 -143.1 0.1 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.898 1.679 . . . . 0.0 110.432 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.06 97.92 0.18 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 -144.18 8.82 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -158.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.29 -18.87 11.9 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -57.15 -35.96 70.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 169.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.49 -21.54 65.57 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.58 -0.7 . . . . 0.0 112.432 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.81 67.88 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.182 0.901 . . . . 0.0 113.356 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -79.27 -38.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.261 1.024 . . . . 0.0 111.476 173.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.86 -45.69 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.976 1.31 . . . . 0.0 113.269 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -52.61 -53.71 43.08 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.207 1.403 . . . . 0.0 112.698 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.99 -32.38 57.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.56 -46.22 86.89 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.852 0.751 . . . . 0.0 109.399 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.281 0.5 OUTLIER -72.67 -19.64 61.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.653 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.306 24.3 p90 -94.55 -33.95 12.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 164.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 m -53.36 -38.8 63.65 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.004 -1.06 . . . . 0.0 113.006 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -74.86 -43.83 52.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.205 1.002 . . . . 0.0 110.7 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -30.74 54.42 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.504 1.921 . . . . 0.0 113.852 167.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 t -79.91 -40.34 28.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.086 0.954 . . . . 0.0 112.106 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -65.75 -7.78 17.62 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -162.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -31.87 6.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 126.742 2.017 . . . . 0.0 113.698 174.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -98.89 -12.77 20.43 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.745 1.218 . . . . 0.0 113.277 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.01 -165.39 1.35 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.694 1.198 . . . . 0.0 111.73 -162.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -72.03 -55.25 7.72 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.674 0.79 . . . . 0.0 111.666 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.22 -112.98 5.45 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.043 0.83 . . . . 0.0 112.533 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -38.75 137.82 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 128.668 2.787 . . . . 0.0 113.875 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.196 1.798 . . . . 0.0 113.136 175.769 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ppp? . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.428 0.156 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -79.1 135.27 36.8 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.59 1.556 . . . . 0.0 114.023 -173.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -78.61 -29.26 45.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.849 2.06 . . . . 0.0 114.561 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -94.07 146.31 24.05 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 125.651 1.581 . . . . 0.0 112.096 -175.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.44 -128.32 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.882 1.673 . . . . 0.0 109.352 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.81 -1.48 0.28 Allowed Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.408 1.48 . . . . 0.0 115.336 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 -137.12 2.23 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.718 1.628 . . . . 0.0 112.031 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 m -52.78 -20.0 2.89 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -54.75 -40.38 69.27 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.262 0.937 . . . . 0.0 113.142 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -68.39 -21.56 64.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.057 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -22.95 63.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.279 1.032 . . . . 0.0 112.819 169.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.19 -42.67 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.426 -0.796 . . . . 0.0 110.293 173.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.04 -39.73 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.588 -0.695 . . . . 0.0 112.426 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.8 m -53.26 -56.3 17.64 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.4 p -66.59 -32.9 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.79 -47.11 84.88 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -31.5 68.82 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -166.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 10.5 p90 -90.54 -30.01 17.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.443 0.565 . . . . 0.0 110.462 177.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -61.08 -37.1 81.51 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.906 -1.121 . . . . 0.0 112.437 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -70.52 -47.04 62.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.784 1.234 . . . . 0.0 111.325 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -36.58 50.76 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.527 1.531 . . . . 0.0 112.644 167.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -89.35 -19.27 25.46 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.2 t -59.27 -17.15 26.12 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -72.8 -62.12 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.209 1.404 . . . . 0.0 113.966 164.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -77.61 -8.6 58.12 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.22 -179.18 7.83 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.559 1.544 . . . . 0.0 111.461 -167.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -57.17 -47.7 80.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.1 -122.05 20.33 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 125.269 1.414 . . . . 0.0 113.365 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -44.82 128.09 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 128.527 2.731 . . . . 0.0 113.515 -174.702 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.856 2.062 . . . . 0.0 111.612 169.244 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -59.27 145.87 41.47 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -63.61 -48.33 77.75 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.799 1.239 . . . . 0.0 113.734 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -84.56 72.37 10.67 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.212 1.805 . . . . 0.0 112.955 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.03 -148.19 0.07 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.272 1.429 . . . . 0.0 112.309 171.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.23 62.02 0.48 Allowed Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.686 1.612 . . . . 0.0 109.591 -170.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 -130.34 1.28 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -161.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.57 -31.22 23.77 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -53.94 -37.94 64.39 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.8 -26.99 69.0 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.184 -0.948 . . . . 0.0 111.899 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.51 72.24 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.815 0.734 . . . . 0.0 112.666 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.68 -44.31 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.484 1.514 . . . . 0.0 111.302 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.55 -45.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.314 1.446 . . . . 0.0 111.013 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.86 -54.16 50.28 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 125.973 1.709 . . . . 0.0 113.643 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.89 -34.44 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 O-C-N 121.346 -0.846 . . . . 0.0 113.183 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 tp -67.42 -37.25 82.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.029 0.532 . . . . 0.0 109.857 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.265 0.3 OUTLIER -69.27 -42.09 76.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.996 -1.065 . . . . 0.0 112.299 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -83.47 -31.85 26.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -57.0 -36.24 70.16 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.136 -0.978 . . . . 0.0 113.081 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -74.22 -42.24 60.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.429 1.492 . . . . 0.0 111.907 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.97 70.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.987 1.715 . . . . 0.0 112.54 167.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -80.68 -41.85 23.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.177 0.991 . . . . 0.0 110.914 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t -67.62 3.64 1.33 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -165.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.56 -43.6 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 126.958 2.103 . . . . 0.0 112.654 171.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -93.74 -7.84 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.484 1.914 . . . . 0.0 113.127 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.42 -174.13 3.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.169 2.188 . . . . 0.0 110.551 -167.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -64.16 -50.07 69.6 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.004 0.922 . . . . 0.0 112.554 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.69 -126.24 38.83 Favored Glycine 0 CA--C 1.539 1.536 0 O-C-N 121.647 -0.658 . . . . 0.0 112.319 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.6 mt -42.83 111.6 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 127.383 2.273 . . . . 0.0 113.174 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.306 -1.331 . . . . 0.0 112.337 177.371 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.553 1.093 0 N-CA-C 112.845 0.683 . . . . 0.0 112.845 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.28 104.5 0.27 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 106.38 -2.688 . . . . 0.0 106.38 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.63 -153.12 18.09 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -159.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m -54.79 -21.04 9.88 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 165.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.1 -35.51 62.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.877 1.271 . . . . 0.0 113.152 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -21.67 66.39 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.555 -0.716 . . . . 0.0 112.504 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.46 67.3 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.737 1.153 . . . . 0.0 113.375 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -78.38 -38.13 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.566 1.146 . . . . 0.0 111.25 172.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.72 -47.95 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.299 1.44 . . . . 0.0 112.79 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.0 m -52.44 -53.65 42.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.123 1.369 . . . . 0.0 113.855 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.58 -35.06 74.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 tp -63.77 -45.79 88.21 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.273 0.4 OUTLIER -70.14 -24.62 63.2 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.228 -0.891 . . . . 0.0 113.363 -171.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.258 25.5 p90 -90.84 -33.65 15.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 167.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 m -55.57 -45.88 77.27 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.005 -1.059 . . . . 0.0 111.943 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -69.16 -46.51 67.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.534 1.134 . . . . 0.0 110.882 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.54 -34.9 27.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.951 2.501 . . . . 0.0 113.686 169.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -85.75 -39.12 17.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 112.564 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -65.5 -13.12 58.16 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 -161.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -72.04 -41.55 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -104.01 -12.08 17.01 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.456 1.903 . . . . 0.0 113.24 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.45 -171.13 3.81 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.65 1.58 . . . . 0.0 110.78 -164.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -71.56 -55.71 7.28 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.228 -0.92 . . . . 0.0 111.591 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -110.01 3.21 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 123.748 0.69 . . . . 0.0 112.958 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt . . . . . 0 N--CA 1.477 0.918 0 C-N-CA 126.053 1.741 . . . . 0.0 110.811 164.922 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.547 0.833 0 CA-C-O 120.577 0.227 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.14 62.58 0.53 Allowed Glycine 0 N--CA 1.467 0.751 0 C-N-CA 126.356 1.931 . . . . 0.0 109.085 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.87 -134.09 1.59 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.891 1.71 . . . . 0.0 110.807 -166.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.8 m -52.27 -27.88 16.73 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.356 1.614 . . . . 0.0 115.356 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.65 -36.45 62.09 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.2 mt -65.51 -22.89 66.77 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.518 -0.738 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -27.61 68.69 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.413 1.006 . . . . 0.0 112.868 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.75 -44.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 110.951 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.77 -42.97 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.511 1.124 . . . . 0.0 113.144 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.5 m -53.05 -57.94 8.69 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 125.442 1.497 . . . . 0.0 113.192 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.31 -27.48 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 120.878 -1.139 . . . . 0.0 113.102 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 tp -75.24 -14.29 60.51 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.215 1.006 . . . . 0.0 113.357 172.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.01 -46.71 4.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 113.82 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -79.33 -24.46 42.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.895 -1.128 . . . . 0.0 111.155 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m -54.53 -31.56 56.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.416 1.086 . . . . 0.0 113.482 167.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -78.2 -41.19 35.28 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.734 1.213 . . . . 0.0 111.339 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.11 -44.92 71.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.2 1.4 . . . . 0.0 112.459 159.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -82.77 -21.99 34.45 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -167.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -12.87 11.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.002 1.721 . . . . 0.0 114.706 -171.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.3 m -75.29 -33.02 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.716 1.607 . . . . 0.0 114.242 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -113.0 4.62 16.82 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.538 1.535 . . . . 0.0 112.648 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.72 177.66 10.23 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -168.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -53.5 -45.74 69.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.024 1.33 . . . . 0.0 113.558 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.18 -108.16 0.52 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.11 1.338 . . . . 0.0 114.351 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt . . . . . 0 CA--C 1.544 0.742 0 C-N-CA 126.737 2.015 . . . . 0.0 112.404 -175.7 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.549 0.904 0 N-CA-C 111.285 0.106 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.72 68.03 0.42 Allowed Glycine 0 N--CA 1.465 0.604 0 C-N-CA 125.924 1.725 . . . . 0.0 109.369 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.21 -146.93 5.23 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.929 1.252 . . . . 0.0 110.847 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.9 m -57.93 -10.36 1.74 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.02 -40.51 73.51 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.096 -1.003 . . . . 0.0 112.809 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.92 -11.04 54.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.844 -1.074 . . . . 0.0 113.347 177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -18.38 61.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.996 1.726 . . . . 0.0 113.023 170.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.19 -37.7 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.331 1.452 . . . . 0.0 111.455 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 t -77.29 -36.08 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.301 1.441 . . . . 0.0 113.485 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.5 m -51.47 -50.45 59.81 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.627 1.571 . . . . 0.0 114.086 -178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.92 -30.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.66 -30.81 69.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.953 0.901 . . . . 0.0 111.842 167.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.264 0.3 OUTLIER -86.8 -36.74 18.37 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -176.031 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.251 25.0 p90 -77.46 -40.1 44.39 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.052 1.296 . . . . 0.0 113.605 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -56.36 -9.66 0.74 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.215 1.806 . . . . 0.0 115.194 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -69.12 -43.25 74.82 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.301 2.241 . . . . 0.0 111.443 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.02 54.67 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.186 1.794 . . . . 0.0 113.866 173.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -85.86 -39.61 16.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.694 1.597 . . . . 0.0 111.756 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.5 p -61.47 -13.6 22.01 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -165.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 m -89.6 -40.59 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 125.813 1.645 . . . . 0.0 112.347 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -95.38 -5.24 43.74 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.031 1.732 . . . . 0.0 113.565 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.67 -165.69 1.2 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.161 1.784 . . . . 0.0 111.857 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.53 -44.87 33.18 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.896 0.878 . . . . 0.0 112.036 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.08 -124.77 33.06 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.043 0.83 . . . . 0.0 113.051 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.476 0.867 0 C-N-CA 125.555 1.542 . . . . 0.0 114.116 175.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 CA--C 1.549 0.908 0 CA-C-O 118.851 -0.595 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.5 -3.5 0.72 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 116.614 1.405 . . . . 0.0 116.614 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.97 -119.21 1.67 Allowed Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.769 1.285 . . . . 0.0 113.631 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m -53.63 -26.94 24.38 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 172.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.67 -40.92 66.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 113.313 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.62 -18.57 62.87 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.8 -1.188 . . . . 0.0 112.752 -173.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.26 58.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.889 0.876 . . . . 0.0 112.596 169.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.83 -37.98 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.492 0.717 . . . . 0.0 110.886 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -70.07 -34.43 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.168 0.987 . . . . 0.0 113.027 172.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 m -55.41 -51.75 65.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.39 -31.64 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.35 -49.72 76.46 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.304 0.4 OUTLIER -68.6 -26.61 65.46 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -169.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.27 23.7 p90 -90.63 -33.79 15.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 m -55.78 -37.48 68.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.843 -1.161 . . . . 0.0 112.184 174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.34 -45.17 81.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.2 1.4 . . . . 0.0 111.606 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -33.64 66.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 113.464 171.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.2 t -80.84 -35.36 32.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.117 0.967 . . . . 0.0 112.414 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -65.88 -5.17 8.35 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -167.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.75 -43.52 69.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 120.208 -1.558 . . . . 0.0 114.445 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -109.2 -2.17 18.18 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.692 1.197 . . . . 0.0 112.963 -178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.27 -171.32 3.56 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.609 1.164 . . . . 0.0 111.874 -163.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -65.72 -57.13 8.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.95 -106.02 1.0 Allowed Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.979 0.8 . . . . 0.0 112.046 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.9 mt . . . . . 0 N--CA 1.479 1.024 0 C-N-CA 127.885 2.474 . . . . 0.0 112.423 168.505 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? . . . . . 0 CA--C 1.548 0.872 0 CA-C-O 118.121 -0.942 . . . . 0.0 109.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.36 -10.22 1.94 Allowed Glycine 0 N--CA 1.477 1.41 0 CA-C-N 121.144 1.793 . . . . 0.0 115.953 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -139.75 2.1 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.945 1.259 . . . . 0.0 113.538 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 m -52.37 -16.23 0.82 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -53.18 -42.63 66.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.24 0.927 . . . . 0.0 113.379 163.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.53 -16.08 63.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.9 1.28 . . . . 0.0 113.578 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.72 -24.03 65.36 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 113.021 166.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.95 -36.54 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.656 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.1 -40.94 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.973 0.909 . . . . 0.0 111.578 172.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.03 -53.91 36.26 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.456 1.102 . . . . 0.0 113.481 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.85 -22.94 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.04 -50.85 60.62 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.501 -0.749 . . . . 0.0 109.631 160.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -36.51 78.37 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -164.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -85.05 -30.48 24.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.043 0.838 . . . . 0.0 110.88 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -60.13 -36.44 77.5 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.031 -1.043 . . . . 0.0 112.686 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -67.19 -47.35 71.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.007 1.323 . . . . 0.0 110.983 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -34.98 64.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.059 1.744 . . . . 0.0 113.257 168.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -91.14 -23.62 20.22 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.5 t -62.54 -7.91 5.44 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -173.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -80.28 -34.83 15.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 126.396 1.878 . . . . 0.0 114.288 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -107.49 3.0 24.58 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.496 1.918 . . . . 0.0 113.289 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.47 -177.57 5.35 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.73 1.612 . . . . 0.0 111.47 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -61.24 -52.19 65.78 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.006 -1.059 . . . . 0.0 111.357 167.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.39 -97.18 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.517 2.008 . . . . 0.0 113.095 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.2 mt . . . . . 0 CA--C 1.539 0.522 0 C-N-CA 126.228 1.811 . . . . 0.0 112.385 177.651 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.558 1.263 0 N-CA-C 113.815 1.043 . . . . 0.0 113.815 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.85 4.29 1.87 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.583 1.564 . . . . 0.0 114.895 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.49 -137.85 3.29 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.282 1.42 . . . . 0.0 112.057 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.5 -20.97 3.27 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -56.02 -41.93 75.68 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 168.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.74 -20.36 65.23 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.819 -1.175 . . . . 0.0 112.789 -172.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -21.51 64.71 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.287 1.035 . . . . 0.0 113.366 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.71 -41.97 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 121.378 -0.826 . . . . 0.0 110.297 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.18 -36.9 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.615 1.166 . . . . 0.0 112.137 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.46 -58.31 7.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 124.785 1.234 . . . . 0.0 113.475 174.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.967 -1.083 . . . . 0.0 112.043 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.35 -20.02 65.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.751 0.82 . . . . 0.0 112.158 171.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.3 OUTLIER -95.15 -38.31 10.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.351 1.46 . . . . 0.0 113.874 175.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -93.5 -41.48 9.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.871 1.669 . . . . 0.0 112.93 -174.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -73.28 -18.54 61.2 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.75 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.08 -45.17 43.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 112.495 166.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -29.96 28.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.023 1.729 . . . . 0.0 113.483 168.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -78.26 -45.17 23.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.02 1.328 . . . . 0.0 111.268 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -54.35 -15.73 1.8 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 -162.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 m -86.87 -28.86 5.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 126.397 1.879 . . . . 0.0 114.527 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -125.2 6.46 7.82 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 112.499 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.36 176.54 12.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.387 1.075 . . . . 0.0 112.349 -169.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -63.57 -52.23 61.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.898 0.879 . . . . 0.0 111.918 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.22 -129.61 46.0 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.03 0.824 . . . . 0.0 112.305 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.542 0.641 0 C-N-CA 125.305 1.442 . . . . 0.0 114.688 175.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.554 1.099 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.31 64.29 0.29 Allowed Glycine 0 N--CA 1.472 1.053 0 CA-C-N 121.681 2.037 . . . . 0.0 111.723 -160.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.12 -128.47 1.05 Allowed Glycine 0 CA--C 1.537 1.469 0 C-N-CA 123.517 0.58 . . . . 0.0 112.501 -171.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 96.9 m -48.29 -30.12 4.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.186 1.795 . . . . 0.0 114.859 170.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.01 -40.51 85.14 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.62 -14.73 63.21 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.844 -1.16 . . . . 0.0 112.854 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.38 -36.43 61.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.899 0.772 . . . . 0.0 111.746 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.78 -43.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.86 1.264 . . . . 0.0 111.504 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -64.42 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.496 -0.753 . . . . 0.0 111.597 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.4 m -60.99 -51.03 71.0 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.426 1.49 . . . . 0.0 114.359 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.32 -32.32 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.271 -0.893 . . . . 0.0 113.222 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.11 -46.04 90.79 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.2 OUTLIER -64.1 -42.01 97.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.845 -176.171 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.256 11.0 p90 -82.32 -26.45 33.01 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 m -61.1 -46.57 90.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.789 0.836 . . . . 0.0 111.464 169.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -72.31 -37.88 68.83 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.527 1.131 . . . . 0.0 112.086 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -31.68 63.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.931 1.692 . . . . 0.0 113.342 166.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -87.86 -40.18 14.21 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.35 0.66 . . . . 0.0 112.0 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.3 t -62.93 -15.43 55.41 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -166.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.56 -26.17 30.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 120.02 -1.675 . . . . 0.0 115.11 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -125.02 3.51 8.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.931 2.092 . . . . 0.0 112.687 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.02 -173.19 4.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.47 0.708 . . . . 0.0 112.686 -168.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -60.3 -60.93 3.03 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.122 0.569 . . . . 0.0 112.268 162.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.28 -107.51 1.63 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.6 mt . . . . . 0 CA--C 1.546 0.823 0 C-N-CA 126.639 1.976 . . . . 0.0 111.556 165.848 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.554 1.098 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.4 37.48 1.84 Allowed Glycine 0 N--CA 1.476 1.308 0 C-N-CA 125.763 1.649 . . . . 0.0 113.339 -169.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.13 -134.25 2.62 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.739 1.638 . . . . 0.0 110.731 -164.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.6 m -51.47 -26.81 8.9 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 174.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -56.6 -38.98 72.77 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 171.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.58 -19.94 62.75 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.48 -0.772 . . . . 0.0 112.124 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.9 66.17 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.84 1.2 . . . . 0.0 113.193 172.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.79 -34.25 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.399 1.479 . . . . 0.0 111.613 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -76.79 -36.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.944 0.898 . . . . 0.0 112.966 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.1 m -55.51 -48.8 74.06 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 126.127 1.771 . . . . 0.0 113.912 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -30.63 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 O-C-N 121.514 -0.741 . . . . 0.0 112.96 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.42 -49.92 75.65 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.283 0.3 OUTLIER -67.31 -30.49 70.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -170.835 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.292 29.1 p90 -84.98 -32.4 23.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 171.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -56.23 -35.48 67.4 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.386 -0.821 . . . . 0.0 112.431 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -76.13 -41.28 50.58 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.612 1.565 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -34.7 65.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.641 1.976 . . . . 0.0 112.474 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -80.98 -46.06 15.66 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.987 . . . . 0.0 111.56 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 t -58.31 -23.28 56.0 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 -164.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.63 -48.81 39.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.45 -10.45 51.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.279 1.832 . . . . 0.0 113.863 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.75 -168.99 1.42 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.982 1.313 . . . . 0.0 112.35 -159.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -71.67 -43.83 65.33 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.74 -128.5 39.89 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 125.62 1.581 . . . . 0.0 116.208 167.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 N--CA 1.488 1.47 0 C-N-CA 128.279 2.632 . . . . 0.0 111.71 177.175 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? . . . . . 0 CA--C 1.552 1.054 0 N-CA-C 112.794 0.665 . . . . 0.0 112.794 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.23 5.83 1.93 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.651 1.596 . . . . 0.0 114.32 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.77 -141.32 3.43 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.701 1.143 . . . . 0.0 111.57 163.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -55.02 -10.45 0.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 117.709 2.485 . . . . 0.0 117.709 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -58.06 -42.6 85.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.155 0.978 . . . . 0.0 112.869 165.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.66 -21.61 62.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.156 0.983 . . . . 0.0 112.69 -167.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.03 -27.93 21.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.292 1.437 . . . . 0.0 113.452 168.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mt -84.51 -30.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.563 1.145 . . . . 0.0 111.769 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.36 -36.94 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.735 1.214 . . . . 0.0 113.336 167.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 m -55.82 -52.83 62.64 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.076 1.35 . . . . 0.0 113.61 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.15 -34.08 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.01 -29.7 70.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.784 0.834 . . . . 0.0 111.905 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.26 0.3 OUTLIER -89.68 -29.88 18.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.103 1.361 . . . . 0.0 113.925 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.317 23.3 p90 -88.3 -41.82 12.64 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -3.89 11.47 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-O 122.232 1.015 . . . . 0.0 113.391 -173.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -59.84 -35.82 75.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.824 2.45 . . . . 0.0 112.841 162.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -25.91 67.73 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.612 1.165 . . . . 0.0 113.5 169.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -80.96 -44.97 17.37 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.549 -0.72 . . . . 0.0 111.204 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.1 t -53.11 -24.36 10.13 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -168.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -78.48 -29.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 120.385 -1.447 . . . . 0.0 113.446 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -110.28 -3.04 16.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.87 -171.32 2.44 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.06 0.944 . . . . 0.0 112.871 -163.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -65.88 -53.33 41.08 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.817 1.247 . . . . 0.0 113.76 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 -139.33 37.44 Favored Glycine 0 N--CA 1.474 1.218 0 C-N-CA 124.035 0.826 . . . . 0.0 114.281 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.472 0.668 0 C-N-CA 124.661 1.184 . . . . 0.0 113.736 177.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 CA--C 1.548 0.872 0 N-CA-C 111.303 0.112 . . . . 0.0 111.303 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.09 89.38 0.14 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 107.233 -2.347 . . . . 0.0 107.233 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.87 -155.17 20.25 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.382 0.991 . . . . 0.0 110.975 -160.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.5 m -47.67 -24.49 0.93 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -53.62 -38.67 64.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.434 1.094 . . . . 0.0 113.408 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.73 -18.69 64.29 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.122 -0.986 . . . . 0.0 113.041 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.13 -32.89 70.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.5 1.045 . . . . 0.0 111.843 173.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -73.75 -37.43 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.78 1.232 . . . . 0.0 111.226 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -70.42 -42.62 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.487 1.115 . . . . 0.0 111.894 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -54.89 -52.95 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.911 1.285 . . . . 0.0 113.422 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.6 p -68.04 -30.75 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.87 -46.29 85.58 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 168.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.266 0.4 OUTLIER -68.53 -31.54 70.85 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 24.5 p90 -88.58 -33.75 17.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.564 0.62 . . . . 0.0 111.676 175.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -60.76 -38.82 86.51 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.749 -1.219 . . . . 0.0 112.694 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -72.99 -41.95 63.78 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.662 1.185 . . . . 0.0 111.649 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -27.61 53.93 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.317 1.847 . . . . 0.0 113.592 166.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.5 t -91.39 -44.48 9.12 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB2' ' H ' ' A' ' 29' ' ' ILE . 1.6 t -64.33 -14.38 55.84 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -160.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.94 -31.72 48.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 126.897 2.079 . . . . 0.0 114.983 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -120.3 -0.3 10.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.349 1.46 . . . . 0.0 112.493 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.47 -166.38 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.169 1.388 . . . . 0.0 112.197 -166.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -72.57 -57.38 4.19 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.212 1.005 . . . . 0.0 111.759 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.29 -113.61 5.62 Favored Glycine 0 CA--C 1.542 1.719 0 O-C-N 121.088 -1.008 . . . . 0.0 113.653 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' H ' ' HB2' ' A' ' 23' ' ' SER . 78.4 mt . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 128.166 2.586 . . . . 0.0 112.991 171.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 CA--C 1.553 1.084 0 CA-C-O 119.185 -0.436 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.19 2.82 0.85 Allowed Glycine 0 CA--C 1.542 1.765 0 CA-C-N 120.121 1.328 . . . . 0.0 116.011 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.03 -138.25 1.86 Allowed Glycine 0 CA--C 1.537 1.44 0 CA-C-N 118.905 1.353 . . . . 0.0 113.235 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.9 m -46.95 -24.89 0.68 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.007 1.723 . . . . 0.0 115.543 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -43.29 67.45 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 169.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.84 -19.19 64.25 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.106 0.962 . . . . 0.0 112.645 -169.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.77 -20.85 53.41 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.71 1.204 . . . . 0.0 113.281 168.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.43 -44.87 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.264 -0.898 . . . . 0.0 110.319 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.54 -40.95 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.635 0.774 . . . . 0.0 112.963 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -55.16 -59.63 4.5 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.269 1.028 . . . . 0.0 113.357 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 9.6 p -63.62 -32.6 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.43 -48.36 80.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.286 0.5 OUTLIER -70.06 -24.3 63.22 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 117.688 -1.149 . . . . 0.0 113.638 -169.378 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 29.2 p90 -95.74 -40.08 9.55 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 172.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -64.3 -32.58 74.24 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.478 -1.389 . . . . 0.0 111.759 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -64.91 -48.41 74.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.716 1.206 . . . . 0.0 111.876 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -35.07 29.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.209 1.804 . . . . 0.0 112.639 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t -84.58 -35.22 22.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 0.0 112.013 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 t -59.42 -18.33 38.24 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -170.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -62.48 -61.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 120.975 -1.078 . . . . 0.0 113.432 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -88.54 -8.27 55.07 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.91 -173.42 4.57 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.02 0.928 . . . . 0.0 113.067 -161.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.33 -44.58 87.35 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.47 -117.24 6.14 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.18 0.895 . . . . 0.0 113.314 172.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mt . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 128.126 2.571 . . . . 0.0 114.691 178.607 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? . . . . . 0 CA--C 1.544 0.733 0 CA-C-O 119.118 -0.467 . . . . 0.0 109.784 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.68 -0.42 1.78 Allowed Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.058 1.314 . . . . 0.0 115.194 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.07 -131.77 0.77 Allowed Glycine 0 CA--C 1.538 1.49 0 CA-C-N 119.216 1.508 . . . . 0.0 113.781 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -53.56 -25.69 18.23 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 174.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -54.02 -42.87 69.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.466 1.106 . . . . 0.0 113.556 171.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.19 -23.99 63.99 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.228 -0.92 . . . . 0.0 112.204 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -16.82 61.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.426 1.091 . . . . 0.0 113.829 170.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.09 -45.76 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 109.665 170.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.76 -42.23 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.7 m -51.85 -60.22 3.43 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 113.179 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.32 -27.05 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.46 -40.79 97.77 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.867 167.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -42.75 12.56 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -166.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -78.99 -31.08 44.72 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.409 1.459 . . . . 0.0 109.519 -173.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 m -58.07 -28.0 64.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 113.157 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.98 -51.35 18.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.922 0.889 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -33.9 45.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.965 1.706 . . . . 0.0 112.748 169.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -88.96 -19.44 25.73 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -173.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -7.6 4.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.931 1.692 . . . . 0.0 114.667 -170.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.27 -41.69 20.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 126.558 1.943 . . . . 0.0 113.578 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -97.59 -1.23 44.29 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.307 1.843 . . . . 0.0 113.704 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.82 -179.14 7.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.736 0.815 . . . . 0.0 112.558 -165.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.92 -43.22 86.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.88 0.872 . . . . 0.0 112.293 166.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.24 -107.04 0.5 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 126.574 2.035 . . . . 0.0 113.608 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.6 mt . . . . . 0 C--O 1.238 0.468 0 C-N-CA 127.016 2.126 . . . . 0.0 111.611 -175.303 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 CA--C 1.545 0.759 0 CA-C-O 119.119 -0.467 . . . . 0.0 109.882 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.81 9.72 1.61 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-N 119.483 1.038 . . . . 0.0 115.418 -172.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.5 -132.4 1.38 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.514 1.53 . . . . 0.0 113.348 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.1 m -49.06 -28.39 4.06 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -54.41 -43.18 71.28 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.493 1.517 . . . . 0.0 113.77 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.7 tp -68.87 -26.66 65.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.311 -0.868 . . . . 0.0 112.367 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.5 -22.24 64.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.127 0.971 . . . . 0.0 112.859 172.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.0 -39.85 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 118.695 0.679 . . . . 0.0 111.255 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.21 -42.8 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.9 0.88 . . . . 0.0 112.893 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -54.7 -49.85 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.0 p -72.6 -32.42 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.33 -45.34 94.84 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.8 OUTLIER -74.56 -18.91 60.51 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -166.006 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 25.0 p90 -98.29 -35.28 10.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.909 0.777 . . . . 0.0 111.281 169.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 m -59.59 -37.33 78.25 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.931 -1.106 . . . . 0.0 112.988 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -68.77 -45.39 71.49 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.674 1.189 . . . . 0.0 111.974 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -35.98 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.516 1.926 . . . . 0.0 112.632 170.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 t -72.57 -40.17 66.82 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.924 0.89 . . . . 0.0 111.556 -176.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -66.41 -2.06 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -161.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.4 -36.95 7.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 125.984 1.714 . . . . 0.0 114.085 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -100.1 -3.43 31.88 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.028 1.731 . . . . 0.0 113.61 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.37 -173.33 2.78 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.364 2.266 . . . . 0.0 110.27 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.79 -51.78 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.874 -1.141 . . . . 0.0 113.356 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.55 -109.74 3.08 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 119.405 1.002 . . . . 0.0 114.36 167.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.0 mt . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 127.306 2.243 . . . . 0.0 113.412 177.559 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? . . . . . 0 CA--C 1.544 0.748 0 N-CA-C 112.007 0.373 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.03 69.46 0.38 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 -145.68 4.33 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.108 1.337 . . . . 0.0 110.518 -168.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.5 m -53.84 -23.92 13.97 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 167.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -52.25 -36.24 51.96 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 173.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.74 -21.9 66.64 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.154 -0.966 . . . . 0.0 112.719 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.3 67.31 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.821 1.191 . . . . 0.0 112.925 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.05 -34.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.006 1.322 . . . . 0.0 111.51 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 t -74.94 -38.54 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.876 1.271 . . . . 0.0 112.502 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -56.85 -53.93 52.24 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 126.465 1.906 . . . . 0.0 113.133 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 p -62.47 -32.45 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 121.266 -0.896 . . . . 0.0 113.098 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.29 -14.28 61.28 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.623 1.169 . . . . 0.0 113.302 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 0.3 OUTLIER -94.27 -43.24 8.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.013 1.325 . . . . 0.0 113.352 175.122 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -87.66 -29.24 21.31 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.341 1.428 . . . . 0.0 110.554 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -57.97 -23.92 55.86 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -75.95 -50.58 14.54 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.461 1.504 . . . . 0.0 112.08 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.85 64.91 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.979 1.712 . . . . 0.0 111.629 162.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -85.92 7.91 22.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.693 0.797 . . . . 0.0 112.292 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -112.22 21.14 16.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.568 2.347 . . . . 0.0 111.435 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.86 -75.43 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.196 1.798 . . . . 0.0 108.137 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -87.25 8.17 25.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.332 1.853 . . . . 0.0 113.898 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.73 178.93 8.86 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.193 1.797 . . . . 0.0 110.807 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.26 -55.2 8.55 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.92 -97.49 0.43 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.318 0.961 . . . . 0.0 115.301 171.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt . . . . . 0 CA--C 1.54 0.595 0 C-N-CA 126.494 1.917 . . . . 0.0 111.861 -179.911 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.549 0.911 0 CA-C-O 119.36 -0.352 . . . . 0.0 110.279 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.86 3.82 2.61 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.196 1.379 . . . . 0.0 115.171 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 -137.52 2.54 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.333 1.92 . . . . 0.0 113.873 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.98 -25.39 8.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.57 1.548 . . . . 0.0 114.466 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -53.35 -42.81 67.17 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 170.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.86 -22.65 65.11 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.07 -1.019 . . . . 0.0 112.49 -171.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -13.31 57.47 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.431 1.092 . . . . 0.0 113.784 170.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.83 -33.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.224 0.92 . . . . 0.0 111.608 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.52 -39.31 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.862 0.865 . . . . 0.0 112.097 168.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -49.43 -56.47 9.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 113.795 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.81 -31.19 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.78 -50.12 68.03 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 166.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.251 0.5 OUTLIER -68.21 -32.22 72.29 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -168.336 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -85.02 -35.03 22.19 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.948 0.795 . . . . 0.0 112.871 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 m -56.85 -39.92 75.14 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.163 -0.961 . . . . 0.0 112.178 173.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.25 -44.02 66.11 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.141 1.376 . . . . 0.0 111.806 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -34.04 65.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.866 1.266 . . . . 0.0 112.297 168.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 t -83.55 -40.34 19.25 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.077 0.951 . . . . 0.0 111.948 -171.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -57.03 -26.19 59.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -167.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.14 -40.36 44.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.335 1.454 . . . . 0.0 114.512 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -97.69 -6.03 33.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.664 1.585 . . . . 0.0 114.047 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.17 -156.24 0.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.789 1.235 . . . . 0.0 112.558 -163.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.46 -55.31 5.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.156 1.383 . . . . 0.0 112.953 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.25 -116.56 9.03 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.715 1.626 . . . . 0.0 112.968 174.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt . . . . . 0 N--CA 1.476 0.853 0 C-N-CA 126.226 1.81 . . . . 0.0 113.653 176.172 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.555 1.144 0 CA-C-O 121.037 0.446 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.96 70.32 0.51 Allowed Glycine 0 C--N 1.337 0.612 0 C-N-CA 127.383 2.42 . . . . 0.0 108.861 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.18 -139.62 3.52 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.183 0.897 . . . . 0.0 111.572 -162.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 m -54.48 -18.4 4.23 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -62.55 -37.35 85.81 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 171.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.92 -21.19 66.78 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.059 -1.026 . . . . 0.0 112.586 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.41 66.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.29 -42.41 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.973 0.909 . . . . 0.0 110.853 169.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.72 -45.78 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.614 1.165 . . . . 0.0 113.199 -177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -55.52 -57.36 12.22 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.611 1.165 . . . . 0.0 113.151 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.32 -31.54 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.41 -47.68 80.96 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.5 OUTLIER -69.0 -32.87 72.72 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.762 -169.238 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -85.27 -33.99 22.03 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.3 m -55.02 -42.31 72.4 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.844 -1.16 . . . . 0.0 112.879 173.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.61 -36.73 60.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.139 1.375 . . . . 0.0 112.408 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -42.48 69.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.29 1.836 . . . . 0.0 112.192 161.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -80.59 -39.95 26.64 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.182 -0.949 . . . . 0.0 112.236 -169.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -64.82 -10.39 27.71 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -167.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.15 -48.54 48.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.32 -0.49 28.15 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.664 1.585 . . . . 0.0 113.057 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.19 -164.34 1.83 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.041 1.337 . . . . 0.0 111.809 -169.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -72.83 -57.46 4.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.293 1.037 . . . . 0.0 111.288 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.91 -110.67 3.61 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.063 1.792 . . . . 0.0 112.471 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.8 mt . . . . . 0 CA--C 1.544 0.74 0 C-N-CA 126.736 2.015 . . . . 0.0 112.055 172.764 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.552 1.055 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.49 44.05 1.21 Allowed Glycine 0 N--CA 1.473 1.121 0 C-N-CA 127.156 2.313 . . . . 0.0 110.957 -175.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.11 -133.05 1.61 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.922 1.725 . . . . 0.0 110.364 -165.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -49.47 -23.66 1.66 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -60.86 -40.73 94.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 171.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.45 -27.89 68.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.307 1.043 . . . . 0.0 112.041 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.75 70.51 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.94 0.896 . . . . 0.0 112.559 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.54 -37.55 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.222 1.409 . . . . 0.0 111.443 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -68.56 -45.65 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.923 0.889 . . . . 0.0 112.475 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.067 1.347 . . . . 0.0 113.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.424 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 7.8 p -67.41 -32.65 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.21 -46.58 86.32 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 168.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.91 -36.4 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.122 -0.986 . . . . 0.0 113.364 -164.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 11.8 p90 -84.1 -29.45 26.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.043 0.838 . . . . 0.0 109.756 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -67.48 -31.23 71.24 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.008 -1.058 . . . . 0.0 112.005 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -83.62 -38.62 21.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.56 1.144 . . . . 0.0 112.236 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -34.68 28.46 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.933 1.293 . . . . 0.0 112.542 165.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.0 p -93.78 1.29 56.52 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.521 1.528 . . . . 0.0 114.829 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 29' ' ' ILE . 52.1 p -79.11 -14.55 59.06 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.93 -38.92 50.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 O-C-N 120.753 -1.217 . . . . 0.0 114.239 -155.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -125.04 14.19 8.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.508 1.523 . . . . 0.0 111.336 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.53 173.33 14.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.006 0.922 . . . . 0.0 113.16 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -59.67 -44.81 93.45 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.834 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -105.39 1.16 Allowed Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.6 1.572 . . . . 0.0 112.142 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER . . . . . 0 CA--C 1.544 0.716 0 C-N-CA 128.275 2.63 . . . . 0.0 114.272 174.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.546 0.794 0 CA-C-O 119.419 -0.324 . . . . 0.0 110.432 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.06 97.92 0.18 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 -144.18 8.82 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -158.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.29 -18.87 11.9 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -57.15 -35.96 70.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 169.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.49 -21.54 65.57 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.58 -0.7 . . . . 0.0 112.432 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.81 67.88 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.182 0.901 . . . . 0.0 113.356 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -79.27 -38.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.261 1.024 . . . . 0.0 111.476 173.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.86 -45.69 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.976 1.31 . . . . 0.0 113.269 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -52.61 -53.71 43.08 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.207 1.403 . . . . 0.0 112.698 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.99 -32.38 57.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.56 -46.22 86.89 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.852 0.751 . . . . 0.0 109.399 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.281 0.5 OUTLIER -72.67 -19.64 61.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.306 24.3 p90 -94.55 -33.95 12.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 164.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 m -53.36 -38.8 63.65 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.004 -1.06 . . . . 0.0 113.006 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -74.86 -43.83 52.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.205 1.002 . . . . 0.0 110.7 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -30.74 54.42 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.504 1.921 . . . . 0.0 113.852 167.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 t -79.91 -40.34 28.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.086 0.954 . . . . 0.0 112.106 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -65.75 -7.78 17.62 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -162.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -31.87 6.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 126.742 2.017 . . . . 0.0 113.698 174.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -98.89 -12.77 20.43 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.745 1.218 . . . . 0.0 113.277 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.01 -165.39 1.35 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.694 1.198 . . . . 0.0 111.73 -162.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -72.03 -55.25 7.72 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.674 0.79 . . . . 0.0 111.666 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.22 -112.98 5.45 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.043 0.83 . . . . 0.0 112.533 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt . . . . . 0 N--CA 1.479 1.012 0 C-N-CA 128.668 2.787 . . . . 0.0 113.875 175.078 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.547 0.856 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.81 -1.48 0.28 Allowed Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.408 1.48 . . . . 0.0 115.336 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 -137.12 2.23 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.718 1.628 . . . . 0.0 112.031 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 m -52.78 -20.0 2.89 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -54.75 -40.38 69.27 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.262 0.937 . . . . 0.0 113.142 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -68.39 -21.56 64.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.057 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -22.95 63.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.279 1.032 . . . . 0.0 112.819 169.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.19 -42.67 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.426 -0.796 . . . . 0.0 110.293 173.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.04 -39.73 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.588 -0.695 . . . . 0.0 112.426 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.8 m -53.26 -56.3 17.64 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.4 p -66.59 -32.9 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.79 -47.11 84.88 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -31.5 68.82 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -166.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 10.5 p90 -90.54 -30.01 17.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.443 0.565 . . . . 0.0 110.462 177.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -61.08 -37.1 81.51 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.906 -1.121 . . . . 0.0 112.437 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -70.52 -47.04 62.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.784 1.234 . . . . 0.0 111.325 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -36.58 50.76 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.527 1.531 . . . . 0.0 112.644 167.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -89.35 -19.27 25.46 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.2 t -59.27 -17.15 26.12 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -72.8 -62.12 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.209 1.404 . . . . 0.0 113.966 164.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -77.61 -8.6 58.12 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.22 -179.18 7.83 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.559 1.544 . . . . 0.0 111.461 -167.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -57.17 -47.7 80.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.1 -122.05 20.33 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 125.269 1.414 . . . . 0.0 113.365 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 N--CA 1.467 0.41 0 C-N-CA 128.527 2.731 . . . . 0.0 113.515 -174.702 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.551 0.997 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.23 62.02 0.48 Allowed Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.686 1.612 . . . . 0.0 109.591 -170.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 -130.34 1.28 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -161.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.57 -31.22 23.77 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -53.94 -37.94 64.39 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.8 -26.99 69.0 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.184 -0.948 . . . . 0.0 111.899 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.51 72.24 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.815 0.734 . . . . 0.0 112.666 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.68 -44.31 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.484 1.514 . . . . 0.0 111.302 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.55 -45.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.314 1.446 . . . . 0.0 111.013 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.86 -54.16 50.28 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 125.973 1.709 . . . . 0.0 113.643 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.89 -34.44 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 O-C-N 121.346 -0.846 . . . . 0.0 113.183 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 tp -67.42 -37.25 82.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.029 0.532 . . . . 0.0 109.857 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.265 0.3 OUTLIER -69.27 -42.09 76.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.996 -1.065 . . . . 0.0 112.299 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -83.47 -31.85 26.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -57.0 -36.24 70.16 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.136 -0.978 . . . . 0.0 113.081 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -74.22 -42.24 60.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.429 1.492 . . . . 0.0 111.907 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.97 70.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.987 1.715 . . . . 0.0 112.54 167.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -80.68 -41.85 23.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.177 0.991 . . . . 0.0 110.914 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t -67.62 3.64 1.33 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -165.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.56 -43.6 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 126.958 2.103 . . . . 0.0 112.654 171.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -93.74 -7.84 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.484 1.914 . . . . 0.0 113.127 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.42 -174.13 3.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.169 2.188 . . . . 0.0 110.551 -167.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -64.16 -50.07 69.6 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.004 0.922 . . . . 0.0 112.554 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.69 -126.24 38.83 Favored Glycine 0 CA--C 1.539 1.536 0 O-C-N 121.647 -0.658 . . . . 0.0 112.319 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.6 mt . . . . . 0 N--CA 1.479 1.019 0 C-N-CA 127.383 2.273 . . . . 0.0 113.174 176.615 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.0 ttp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.0 mtp-105 -45.93 124.68 5.55 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.223 1.809 . . . . 0.0 115.191 -169.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -90.25 -9.14 49.1 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 116.136 1.902 . . . . 0.0 116.136 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.4 m80 -91.78 149.95 21.34 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.405 1.082 . . . . 0.0 112.095 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.06 -140.64 0.09 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.109 0.964 . . . . 0.0 112.845 -167.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.28 104.5 0.27 Allowed Glycine 0 CA--C 1.526 0.725 0 N-CA-C 106.38 -2.688 . . . . 0.0 106.38 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.63 -153.12 18.09 Favored Glycine 0 CA--C 1.533 1.17 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -159.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.4 m -54.79 -21.04 9.88 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 165.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -54.1 -35.51 62.19 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.877 1.271 . . . . 0.0 113.152 172.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 77.3 mt -63.29 -21.67 66.39 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.555 -0.716 . . . . 0.0 112.504 178.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.32 -23.46 67.3 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 119.737 1.153 . . . . 0.0 113.375 175.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -78.38 -38.13 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.566 1.146 . . . . 0.0 111.25 172.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -72.72 -47.95 47.96 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 C-N-CA 125.299 1.44 . . . . 0.0 112.79 178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.0 m -52.44 -53.65 42.53 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 125.123 1.369 . . . . 0.0 113.855 -177.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.58 -35.06 74.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 113.664 0.987 . . . . 0.0 113.664 -177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 tp -63.77 -45.79 88.21 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 170.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.273 0.4 OUTLIER -70.14 -24.62 63.2 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 118.228 -0.891 . . . . 0.0 113.363 -171.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.258 25.5 p90 -90.84 -33.65 15.59 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 167.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 m -55.57 -45.88 77.27 Favored 'General case' 0 N--CA 1.471 0.611 0 O-C-N 121.005 -1.059 . . . . 0.0 111.943 176.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.0 mm-40 -69.16 -46.51 67.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.534 1.134 . . . . 0.0 110.882 -177.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.54 -34.9 27.23 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.951 2.501 . . . . 0.0 113.686 169.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -85.75 -39.12 17.5 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 124.763 1.225 . . . . 0.0 112.564 -176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 t -65.5 -13.12 58.16 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 115.297 1.592 . . . . 0.0 115.297 -161.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -72.04 -41.55 68.0 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.13 0 N-CA-C 114.295 1.22 . . . . 0.0 114.295 177.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -104.01 -12.08 17.01 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.456 1.903 . . . . 0.0 113.24 -177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.45 -171.13 3.81 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.65 1.58 . . . . 0.0 110.78 -164.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 46.9 mtt180 -71.56 -55.71 7.28 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 121.228 -0.92 . . . . 0.0 111.591 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -110.01 3.21 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 123.748 0.69 . . . . 0.0 112.958 169.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 64.5 mt -42.48 136.74 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 C-N-CA 126.053 1.741 . . . . 0.0 110.811 164.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 53.6 tttp . . . . . 0 C--O 1.254 1.303 0 CA-C-O 116.706 -1.616 . . . . 0.0 112.031 -166.685 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.0 mtm . . . . . 0 N--CA 1.476 0.86 0 CA-C-O 118.851 -0.595 . . . . 0.0 110.008 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 61.3 mtp180 -148.33 145.68 28.23 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 125.567 1.547 . . . . 0.0 112.269 179.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 ptpp? -84.44 -9.74 58.12 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 124.932 1.293 . . . . 0.0 113.678 163.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -102.14 153.43 19.94 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.966 1.707 . . . . 0.0 112.416 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.84 -151.16 0.34 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 125.856 1.662 . . . . 0.0 110.467 178.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -141.14 62.58 0.53 Allowed Glycine 0 N--CA 1.467 0.751 0 C-N-CA 126.356 1.931 . . . . 0.0 109.085 -175.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.87 -134.09 1.59 Allowed Glycine 0 CA--C 1.534 1.232 0 C-N-CA 125.891 1.71 . . . . 0.0 110.807 -166.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.8 m -52.27 -27.88 16.73 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 115.356 1.614 . . . . 0.0 115.356 174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -53.65 -36.45 62.09 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 172.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 47.2 mt -65.51 -22.89 66.77 Favored 'General case' 0 CA--C 1.535 0.401 0 O-C-N 121.518 -0.738 . . . . 0.0 112.467 -178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.45 -27.61 68.69 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 119.413 1.006 . . . . 0.0 112.868 177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -74.75 -44.57 45.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 124.829 1.252 . . . . 0.0 110.951 172.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.6 t -66.77 -42.97 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 C-N-CA 124.511 1.124 . . . . 0.0 113.144 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.5 m -53.05 -57.94 8.69 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 125.442 1.497 . . . . 0.0 113.192 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.31 -27.48 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 O-C-N 120.878 -1.139 . . . . 0.0 113.102 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 56.6 tp -75.24 -14.29 60.51 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.215 1.006 . . . . 0.0 113.357 172.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.01 -46.71 4.39 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.572 1.549 . . . . 0.0 113.82 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -79.33 -24.46 42.75 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 120.895 -1.128 . . . . 0.0 111.155 -174.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.8 m -54.53 -31.56 56.58 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 124.416 1.086 . . . . 0.0 113.482 167.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -78.2 -41.19 35.28 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.734 1.213 . . . . 0.0 111.339 -174.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.11 -44.92 71.7 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.2 1.4 . . . . 0.0 112.459 159.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.5 m -82.77 -21.99 34.45 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 113.409 0.892 . . . . 0.0 113.409 -167.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.71 -12.87 11.77 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 126.002 1.721 . . . . 0.0 114.706 -171.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 30.3 m -75.29 -33.02 27.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.716 1.607 . . . . 0.0 114.242 177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -113.0 4.62 16.82 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.538 1.535 . . . . 0.0 112.648 179.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.72 177.66 10.23 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -168.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 68.1 mtt85 -53.5 -45.74 69.78 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 125.024 1.33 . . . . 0.0 113.558 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.18 -108.16 0.52 Allowed Glycine 0 CA--C 1.531 1.087 0 C-N-CA 125.11 1.338 . . . . 0.0 114.351 171.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 79.5 mt -58.62 146.18 9.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 126.737 2.015 . . . . 0.0 112.404 -175.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp . . . . . 0 C--O 1.253 1.252 0 C-N-CA 127.482 2.313 . . . . 0.0 113.665 175.182 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 119.426 -0.321 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 71.5 mtt180 -60.21 132.02 52.63 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.275 0.63 . . . . 0.0 111.618 168.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -70.79 -11.58 61.04 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 115.674 1.731 . . . . 0.0 115.674 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -125.1 159.18 32.04 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.787 1.635 . . . . 0.0 111.232 -170.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -158.29 -143.63 0.11 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.926 1.29 . . . . 0.0 111.285 -173.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.72 68.03 0.42 Allowed Glycine 0 N--CA 1.465 0.604 0 C-N-CA 125.924 1.725 . . . . 0.0 109.369 -172.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.21 -146.93 5.23 Favored Glycine 0 CA--C 1.53 1.025 0 C-N-CA 124.929 1.252 . . . . 0.0 110.847 -166.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 56.9 m -57.93 -10.36 1.74 Allowed 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 115.883 1.809 . . . . 0.0 115.883 174.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.02 -40.51 73.51 Favored 'General case' 0 CA--C 1.541 0.614 0 O-C-N 121.096 -1.003 . . . . 0.0 112.809 164.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.92 -11.04 54.97 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-O 117.844 -1.074 . . . . 0.0 113.347 177.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -18.38 61.11 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 120.996 1.726 . . . . 0.0 113.023 170.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -82.19 -37.7 14.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.331 1.452 . . . . 0.0 111.455 172.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 t -77.29 -36.08 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 125.301 1.441 . . . . 0.0 113.485 176.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.5 m -51.47 -50.45 59.81 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 125.627 1.571 . . . . 0.0 114.086 -178.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -66.92 -30.87 51.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.8 tp -68.66 -30.81 69.58 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.953 0.901 . . . . 0.0 111.842 167.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.264 0.3 OUTLIER -86.8 -36.74 18.37 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -176.031 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.251 25.0 p90 -77.46 -40.1 44.39 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 120.052 1.296 . . . . 0.0 113.605 177.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 46.6 m -56.36 -9.66 0.74 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 126.215 1.806 . . . . 0.0 115.194 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.3 mm-40 -69.12 -43.25 74.82 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 127.301 2.241 . . . . 0.0 111.443 172.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -20.02 54.67 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 126.186 1.794 . . . . 0.0 113.866 173.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 43.6 t -85.86 -39.61 16.84 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.694 1.597 . . . . 0.0 111.756 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 35.5 p -61.47 -13.6 22.01 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 116.423 2.009 . . . . 0.0 116.423 -165.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.8 m -89.6 -40.59 13.18 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.114 0 C-N-CA 125.813 1.645 . . . . 0.0 112.347 178.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -95.38 -5.24 43.74 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.031 1.732 . . . . 0.0 113.565 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.67 -165.69 1.2 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.161 1.784 . . . . 0.0 111.857 -168.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 91.0 mtm-85 -76.53 -44.87 33.18 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.896 0.878 . . . . 0.0 112.036 178.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.08 -124.77 33.06 Favored Glycine 0 CA--C 1.531 1.075 0 C-N-CA 124.043 0.83 . . . . 0.0 113.051 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -51.59 154.17 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 125.555 1.542 . . . . 0.0 114.116 175.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 C--O 1.256 1.433 0 C-N-CA 124.53 1.132 . . . . 0.0 112.186 175.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.9 ttp . . . . . 0 N--CA 1.476 0.84 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -81.34 148.22 29.47 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 126.198 1.799 . . . . 0.0 112.222 172.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -78.51 -18.96 53.99 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 125.597 1.559 . . . . 0.0 112.593 166.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -108.34 154.16 22.23 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 126.4 1.88 . . . . 0.0 113.829 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -163.49 -138.19 0.04 OUTLIER 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 126.653 1.981 . . . . 0.0 109.514 -175.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -144.5 -3.5 0.72 Allowed Glycine 0 CA--C 1.534 1.278 0 N-CA-C 116.614 1.405 . . . . 0.0 116.614 -175.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.97 -119.21 1.67 Allowed Glycine 0 CA--C 1.533 1.207 0 CA-C-N 118.769 1.285 . . . . 0.0 113.631 -177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.4 m -53.63 -26.94 24.38 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 172.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.67 -40.92 66.33 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 124.095 0.958 . . . . 0.0 113.313 168.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.1 tp -70.62 -18.57 62.87 Favored 'General case' 0 CA--C 1.536 0.411 0 O-C-N 120.8 -1.188 . . . . 0.0 112.752 -173.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.66 -27.26 58.25 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.889 0.876 . . . . 0.0 112.596 169.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -77.83 -37.98 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 123.492 0.717 . . . . 0.0 110.886 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.0 t -70.07 -34.43 59.41 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.168 0.987 . . . . 0.0 113.027 172.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.8 m -55.41 -51.75 65.83 Favored 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 114.57 1.322 . . . . 0.0 114.57 178.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.3 p -68.39 -31.64 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.35 -49.72 76.46 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 108.18 -1.044 . . . . 0.0 108.18 166.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.304 0.4 OUTLIER -68.6 -26.61 65.46 Favored 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -169.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.27 23.7 p90 -90.63 -33.79 15.7 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 170.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 m -55.78 -37.48 68.63 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 120.843 -1.161 . . . . 0.0 112.184 174.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.0 mm-40 -66.34 -45.17 81.12 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.2 1.4 . . . . 0.0 111.606 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -33.64 66.67 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 113.464 171.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.2 t -80.84 -35.36 32.9 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.117 0.967 . . . . 0.0 112.414 -175.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 t -65.88 -5.17 8.35 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -167.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.0 m -71.75 -43.52 69.84 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.213 0 O-C-N 120.208 -1.558 . . . . 0.0 114.445 175.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.7 pttt -109.2 -2.17 18.18 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.692 1.197 . . . . 0.0 112.963 -178.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -157.27 -171.32 3.56 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.609 1.164 . . . . 0.0 111.874 -163.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.1 mtt-85 -65.72 -57.13 8.76 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 121.289 -0.882 . . . . 0.0 111.726 174.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.95 -106.02 1.0 Allowed Glycine 0 CA--C 1.537 1.415 0 C-N-CA 123.979 0.8 . . . . 0.0 112.046 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.9 mt -38.22 126.41 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 C-N-CA 127.885 2.474 . . . . 0.0 112.423 168.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.6 ttpp . . . . . 0 C--O 1.248 0.976 0 C-N-CA 125.914 1.686 . . . . 0.0 111.47 -178.807 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.8 tpp . . . . . 0 N--CA 1.475 0.821 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 62.6 ttt-85 -86.3 121.73 29.29 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.268 1.027 . . . . 0.0 110.831 174.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -93.14 24.56 3.72 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.396 1.878 . . . . 0.0 113.751 -166.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -113.69 137.65 51.31 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.35 1.06 . . . . 0.0 112.477 -166.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -154.85 -139.46 0.08 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 127.121 2.168 . . . . 0.0 109.222 -171.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.36 -10.22 1.94 Allowed Glycine 0 N--CA 1.477 1.41 0 CA-C-N 121.144 1.793 . . . . 0.0 115.953 -175.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.83 -139.75 2.1 Favored Glycine 0 CA--C 1.531 1.046 0 C-N-CA 124.945 1.259 . . . . 0.0 113.538 178.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.7 m -52.37 -16.23 0.82 Allowed 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 116.682 2.105 . . . . 0.0 116.682 174.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -53.18 -42.63 66.41 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-N 119.24 0.927 . . . . 0.0 113.379 163.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 tt -68.53 -16.08 63.76 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.9 1.28 . . . . 0.0 113.578 -172.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.72 -24.03 65.36 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.863 0.865 . . . . 0.0 113.021 166.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.95 -36.54 22.07 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 O-C-N 121.51 -0.744 . . . . 0.0 110.656 174.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 t -67.1 -40.94 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 C-N-CA 123.973 0.909 . . . . 0.0 111.578 172.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.2 m -52.03 -53.91 36.26 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.456 1.102 . . . . 0.0 113.481 176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -70.85 -22.94 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -176.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.5 tp -67.04 -50.85 60.62 Favored 'General case' 0 CA--C 1.54 0.579 0 O-C-N 121.501 -0.749 . . . . 0.0 109.631 160.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.79 -36.51 78.37 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 -164.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -85.05 -30.48 24.08 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 119.043 0.838 . . . . 0.0 110.88 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.9 m -60.13 -36.44 77.5 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 121.031 -1.043 . . . . 0.0 112.686 177.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.1 mm-40 -67.19 -47.35 71.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.007 1.323 . . . . 0.0 110.983 177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.18 -34.98 64.32 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 126.059 1.744 . . . . 0.0 113.257 168.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 m -91.14 -23.62 20.22 Favored 'General case' 0 N--CA 1.463 0.214 0 N-CA-C 113.89 1.07 . . . . 0.0 113.89 -168.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.5 t -62.54 -7.91 5.44 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 114.706 1.373 . . . . 0.0 114.706 -173.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 29.4 m -80.28 -34.83 15.07 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 C-N-CA 126.396 1.878 . . . . 0.0 114.288 171.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.4 pttt -107.49 3.0 24.58 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 126.496 1.918 . . . . 0.0 113.289 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.47 -177.57 5.35 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.73 1.612 . . . . 0.0 111.47 -171.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -61.24 -52.19 65.78 Favored 'General case' 0 N--CA 1.485 1.288 0 O-C-N 121.006 -1.059 . . . . 0.0 111.357 167.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.39 -97.18 0.19 Allowed Glycine 0 CA--C 1.53 0.979 0 C-N-CA 126.517 2.008 . . . . 0.0 113.095 174.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.2 mt -49.97 142.76 2.41 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.522 0 C-N-CA 126.228 1.811 . . . . 0.0 112.385 177.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.252 1.21 0 C-N-CA 125.301 1.44 . . . . 0.0 113.089 177.632 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.0 tpp . . . . . 0 N--CA 1.476 0.833 0 CA-C-O 120.179 0.038 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -54.03 144.59 18.86 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 125.315 1.446 . . . . 0.0 112.318 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -88.27 129.42 35.37 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 125.533 1.533 . . . . 0.0 110.84 176.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.6 m170 57.88 58.33 3.69 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.962 1.705 . . . . 0.0 114.477 173.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.555 ' H ' HD23 ' A' ' 5' ' ' LEU . 0.9 OUTLIER -70.29 -137.66 0.01 OUTLIER 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 127.559 2.344 . . . . 0.0 113.815 177.56 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -142.85 4.29 1.87 Allowed Glycine 0 CA--C 1.536 1.39 0 C-N-CA 125.583 1.564 . . . . 0.0 114.895 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.49 -137.85 3.29 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 125.282 1.42 . . . . 0.0 112.057 174.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.4 m -52.5 -20.97 3.27 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 115.805 1.78 . . . . 0.0 115.805 176.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -56.02 -41.93 75.68 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 168.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 tt -67.74 -20.36 65.23 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 120.819 -1.175 . . . . 0.0 112.789 -172.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.84 -21.51 64.71 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.287 1.035 . . . . 0.0 113.366 169.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.71 -41.97 40.76 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 O-C-N 121.378 -0.826 . . . . 0.0 110.297 172.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.18 -36.9 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.592 0 C-N-CA 124.615 1.166 . . . . 0.0 112.137 174.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.6 m -53.46 -58.31 7.57 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 124.785 1.234 . . . . 0.0 113.475 174.116 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 14.2 p -65.85 -31.46 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 O-C-N 120.967 -1.083 . . . . 0.0 112.043 -177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.5 tp -67.35 -20.02 65.52 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.751 0.82 . . . . 0.0 112.158 171.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.3 OUTLIER -95.15 -38.31 10.66 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.351 1.46 . . . . 0.0 113.874 175.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.7 p90 -93.5 -41.48 9.76 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.871 1.669 . . . . 0.0 112.93 -174.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.1 m -73.28 -18.54 61.2 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 120.232 -1.542 . . . . 0.0 112.75 -177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 58.7 mm-40 -75.08 -45.17 43.18 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.731 1.212 . . . . 0.0 112.495 166.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -29.96 28.56 Favored 'General case' 0 N--CA 1.482 1.17 0 C-N-CA 126.023 1.729 . . . . 0.0 113.483 168.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.3 t -78.26 -45.17 23.53 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.02 1.328 . . . . 0.0 111.268 176.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 80.8 p -54.35 -15.73 1.8 Allowed 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 117.877 2.547 . . . . 0.0 117.877 -162.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.6 m -86.87 -28.86 5.76 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 C-N-CA 126.397 1.879 . . . . 0.0 114.527 -174.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -125.2 6.46 7.82 Favored 'General case' 0 C--O 1.235 0.311 0 C-N-CA 125.268 1.427 . . . . 0.0 112.499 176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -158.36 176.54 12.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.387 1.075 . . . . 0.0 112.349 -169.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.4 mtt85 -63.57 -52.23 61.93 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.898 0.879 . . . . 0.0 111.918 -178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.22 -129.61 46.0 Favored Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.03 0.824 . . . . 0.0 112.305 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.37 145.62 2.59 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 C-N-CA 125.305 1.442 . . . . 0.0 114.688 175.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 63.3 mttm . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.134 1.774 . . . . 0.0 113.775 -177.469 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 118.774 -0.632 . . . . 0.0 110.187 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.9 ttm-85 -45.31 115.61 0.96 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.472 1.509 . . . . 0.0 112.922 179.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -77.27 -32.06 55.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 116.118 1.896 . . . . 0.0 116.118 -168.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -111.94 172.58 6.82 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.738 1.615 . . . . 0.0 113.977 -169.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -140.87 -146.28 0.19 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 126.732 2.013 . . . . 0.0 111.191 -160.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -159.31 64.29 0.29 Allowed Glycine 0 N--CA 1.472 1.053 0 CA-C-N 121.681 2.037 . . . . 0.0 111.723 -160.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.12 -128.47 1.05 Allowed Glycine 0 CA--C 1.537 1.469 0 C-N-CA 123.517 0.58 . . . . 0.0 112.501 -171.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 96.9 m -48.29 -30.12 4.52 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.186 1.795 . . . . 0.0 114.859 170.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -59.01 -40.51 85.14 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 113.925 1.083 . . . . 0.0 113.925 174.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.0 mt -68.62 -14.73 63.21 Favored 'General case' 0 N--CA 1.47 0.533 0 O-C-N 120.844 -1.16 . . . . 0.0 112.854 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.38 -36.43 61.4 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 118.899 0.772 . . . . 0.0 111.746 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -69.78 -43.71 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.669 0 C-N-CA 124.86 1.264 . . . . 0.0 111.504 178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.3 t -64.42 -40.27 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.496 -0.753 . . . . 0.0 111.597 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.4 m -60.99 -51.03 71.0 Favored 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 125.426 1.49 . . . . 0.0 114.359 178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.0 p -68.32 -32.32 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 121.271 -0.893 . . . . 0.0 113.222 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -62.11 -46.04 90.79 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.2 OUTLIER -64.1 -42.01 97.07 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 118.309 -0.853 . . . . 0.0 112.845 -176.171 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.256 11.0 p90 -82.32 -26.45 33.01 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.7 m -61.1 -46.57 90.07 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.789 0.836 . . . . 0.0 111.464 169.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.5 mm-40 -72.31 -37.88 68.83 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.527 1.131 . . . . 0.0 112.086 -177.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.32 -31.68 63.92 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.931 1.692 . . . . 0.0 113.342 166.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.9 t -87.86 -40.18 14.21 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.35 0.66 . . . . 0.0 112.0 -174.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.3 t -62.93 -15.43 55.41 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -166.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.56 -26.17 30.42 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 O-C-N 120.02 -1.675 . . . . 0.0 115.11 178.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -125.02 3.51 8.0 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.931 2.092 . . . . 0.0 112.687 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -159.02 -173.19 4.11 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.47 0.708 . . . . 0.0 112.686 -168.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -60.3 -60.93 3.03 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.122 0.569 . . . . 0.0 112.268 162.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 62.28 -107.51 1.63 Allowed Glycine 0 CA--C 1.532 1.154 0 N-CA-C 111.101 -0.8 . . . . 0.0 111.101 -178.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.6 mt -44.4 117.7 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.823 0 C-N-CA 126.639 1.976 . . . . 0.0 111.556 165.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 54.5 tttm . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.426 1.49 . . . . 0.0 111.478 -172.853 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 tpt . . . . . 0 N--CA 1.474 0.766 0 CA-C-O 119.639 -0.22 . . . . 0.0 111.105 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 85.1 mmt-85 -150.67 161.8 41.91 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 127.243 2.217 . . . . 0.0 110.542 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -69.04 -19.42 64.1 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 125.894 1.677 . . . . 0.0 114.893 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -71.46 161.84 30.4 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 126.888 2.075 . . . . 0.0 114.474 -171.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.94 -149.11 0.29 Allowed 'General case' 0 CA--C 1.554 1.098 0 C-N-CA 125.347 1.459 . . . . 0.0 112.264 -176.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -137.4 37.48 1.84 Allowed Glycine 0 N--CA 1.476 1.308 0 C-N-CA 125.763 1.649 . . . . 0.0 113.339 -169.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.13 -134.25 2.62 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 125.739 1.638 . . . . 0.0 110.731 -164.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 65.6 m -51.47 -26.81 8.9 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 114.707 1.373 . . . . 0.0 114.707 174.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.5 t-105 -56.6 -38.98 72.77 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 113.558 0.947 . . . . 0.0 113.558 171.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.58 -19.94 62.75 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-O 118.48 -0.772 . . . . 0.0 112.124 -179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.8 -24.9 66.17 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 119.84 1.2 . . . . 0.0 113.193 172.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.79 -34.25 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 125.399 1.479 . . . . 0.0 111.613 174.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 t -76.79 -36.05 25.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 123.944 0.898 . . . . 0.0 112.966 175.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 33.1 m -55.51 -48.8 74.06 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 126.127 1.771 . . . . 0.0 113.912 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -30.63 45.22 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.294 0 O-C-N 121.514 -0.741 . . . . 0.0 112.96 -178.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tp -60.42 -49.92 75.65 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 164.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.283 0.3 OUTLIER -67.31 -30.49 70.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 -170.835 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.292 29.1 p90 -84.98 -32.4 23.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 114.974 1.472 . . . . 0.0 114.974 171.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.2 m -56.23 -35.48 67.4 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 121.386 -0.821 . . . . 0.0 112.431 170.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -76.13 -41.28 50.58 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.612 1.565 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.94 -34.7 65.88 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 126.641 1.976 . . . . 0.0 112.474 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.4 t -80.98 -46.06 15.66 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 124.166 0.987 . . . . 0.0 111.56 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.2 t -58.31 -23.28 56.0 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 116.209 1.929 . . . . 0.0 116.209 -164.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 m -73.63 -48.81 39.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 173.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -87.45 -10.45 51.84 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 126.279 1.832 . . . . 0.0 113.863 -177.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.75 -168.99 1.42 Allowed 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 124.982 1.313 . . . . 0.0 112.35 -159.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -71.67 -43.83 65.33 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.74 -128.5 39.89 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 125.62 1.581 . . . . 0.0 116.208 167.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.0 mt -32.87 114.29 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 C-N-CA 128.279 2.632 . . . . 0.0 111.71 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.7 tttt . . . . . 0 C--O 1.252 1.187 0 CA-C-O 116.838 -1.553 . . . . 0.0 114.403 -158.051 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.1 tpt . . . . . 0 N--CA 1.473 0.676 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.3 ptp180 -56.83 147.99 21.89 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.113 1.765 . . . . 0.0 113.851 -178.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -75.54 -29.29 59.36 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.703 1.201 . . . . 0.0 113.945 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -112.28 68.55 0.67 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.246 2.218 . . . . 0.0 109.807 -176.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.534 ' H ' HD23 ' A' ' 5' ' ' LEU . 1.1 pt? -74.59 -140.07 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 126.48 1.912 . . . . 0.0 112.794 -179.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -143.23 5.83 1.93 Allowed Glycine 0 CA--C 1.538 1.481 0 C-N-CA 125.651 1.596 . . . . 0.0 114.32 177.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.77 -141.32 3.43 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.701 1.143 . . . . 0.0 111.57 163.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 38.7 m -55.02 -10.45 0.5 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 117.709 2.485 . . . . 0.0 117.709 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.3 t-105 -58.06 -42.6 85.85 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 122.155 0.978 . . . . 0.0 112.869 165.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 40.6 tp -70.66 -21.61 62.58 Favored 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 124.156 0.983 . . . . 0.0 112.69 -167.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -53.03 -27.93 21.92 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 125.292 1.437 . . . . 0.0 113.452 168.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mt -84.51 -30.46 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 124.563 1.145 . . . . 0.0 111.769 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.4 t -77.36 -36.94 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.735 1.214 . . . . 0.0 113.336 167.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.9 m -55.82 -52.83 62.64 Favored 'General case' 0 C--O 1.224 -0.287 0 C-N-CA 125.076 1.35 . . . . 0.0 113.61 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.4 p -63.15 -34.08 64.66 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 12.0 tp -64.01 -29.7 70.83 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.784 0.834 . . . . 0.0 111.905 171.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.26 0.3 OUTLIER -89.68 -29.88 18.47 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.103 1.361 . . . . 0.0 113.925 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.317 23.3 p90 -88.3 -41.82 12.64 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.415 1.635 . . . . 0.0 115.415 176.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -3.89 11.47 Favored 'General case' 0 CA--C 1.55 0.979 0 CA-C-O 122.232 1.015 . . . . 0.0 113.391 -173.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 67.0 mm-40 -59.84 -35.82 75.55 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 127.824 2.45 . . . . 0.0 112.841 162.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.44 -25.91 67.73 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.612 1.165 . . . . 0.0 113.5 169.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -80.96 -44.97 17.37 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 121.549 -0.72 . . . . 0.0 111.204 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 29.1 t -53.11 -24.36 10.13 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.135 1.902 . . . . 0.0 116.135 -168.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 m -78.48 -29.34 14.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 120.385 -1.447 . . . . 0.0 113.446 -177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -110.28 -3.04 16.45 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.87 -171.32 2.44 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.06 0.944 . . . . 0.0 112.871 -163.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -65.88 -53.33 41.08 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 124.817 1.247 . . . . 0.0 113.76 178.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.37 -139.33 37.44 Favored Glycine 0 N--CA 1.474 1.218 0 C-N-CA 124.035 0.826 . . . . 0.0 114.281 171.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -50.02 145.21 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 C-N-CA 124.661 1.184 . . . . 0.0 113.736 177.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.0 tptp . . . . . 0 C--O 1.255 1.366 0 C-N-CA 124.615 1.166 . . . . 0.0 111.99 179.123 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.4 ttm . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 119.127 -0.463 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -57.6 126.28 26.63 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.317 1.047 . . . . 0.0 111.471 170.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -142.22 -15.07 0.78 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 115.685 1.735 . . . . 0.0 115.685 -169.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -96.0 158.57 15.39 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.577 1.551 . . . . 0.0 111.225 175.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -161.21 -145.42 0.11 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 124.565 1.146 . . . . 0.0 111.303 -170.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.09 89.38 0.14 Allowed Glycine 0 C--N 1.335 0.511 0 N-CA-C 107.233 -2.347 . . . . 0.0 107.233 -172.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.87 -155.17 20.25 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 124.382 0.991 . . . . 0.0 110.975 -160.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.5 m -47.67 -24.49 0.93 Allowed 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -53.62 -38.67 64.25 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 124.434 1.094 . . . . 0.0 113.408 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.73 -18.69 64.29 Favored 'General case' 0 N--CA 1.466 0.369 0 O-C-N 121.122 -0.986 . . . . 0.0 113.041 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.13 -32.89 70.26 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.5 1.045 . . . . 0.0 111.843 173.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -73.75 -37.43 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.83 0 C-N-CA 124.78 1.232 . . . . 0.0 111.226 175.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 t -70.42 -42.62 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 124.487 1.115 . . . . 0.0 111.894 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 55.8 m -54.89 -52.95 61.27 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 124.911 1.285 . . . . 0.0 113.422 178.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.442 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.6 p -68.04 -30.75 49.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 113.86 1.059 . . . . 0.0 113.86 -179.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.8 tp -63.87 -46.29 85.58 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 168.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.266 0.4 OUTLIER -68.53 -31.54 70.85 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -166.883 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.442 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 24.5 p90 -88.58 -33.75 17.57 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 118.564 0.62 . . . . 0.0 111.676 175.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.1 m -60.76 -38.82 86.51 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 120.749 -1.219 . . . . 0.0 112.694 177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -72.99 -41.95 63.78 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 124.662 1.185 . . . . 0.0 111.649 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -27.61 53.93 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 126.317 1.847 . . . . 0.0 113.592 166.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.5 t -91.39 -44.48 9.12 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -169.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.441 ' HB2' ' H ' ' A' ' 29' ' ' ILE . 1.6 t -64.33 -14.38 55.84 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 -160.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 m -69.94 -31.72 48.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 C-N-CA 126.897 2.079 . . . . 0.0 114.983 178.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -120.3 -0.3 10.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 125.349 1.46 . . . . 0.0 112.493 -179.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -160.47 -166.38 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 125.169 1.388 . . . . 0.0 112.197 -166.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 -72.57 -57.38 4.19 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.212 1.005 . . . . 0.0 111.759 178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 60.29 -113.61 5.62 Favored Glycine 0 CA--C 1.542 1.719 0 O-C-N 121.088 -1.008 . . . . 0.0 113.653 170.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' H ' ' HB2' ' A' ' 23' ' ' SER . 78.4 mt -44.3 133.12 1.55 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 C-N-CA 128.166 2.586 . . . . 0.0 112.991 171.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt . . . . . 0 C--O 1.253 1.288 0 C-N-CA 125.929 1.692 . . . . 0.0 112.822 174.5 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.1 ttm-85 -60.09 131.21 50.13 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.233 1.013 . . . . 0.0 113.012 -178.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -133.66 -5.02 2.87 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.806 2.042 . . . . 0.0 114.573 178.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 39.3 m170 -99.77 156.78 16.92 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.211 1.405 . . . . 0.0 113.009 173.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -161.27 -139.41 0.05 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.206 1.803 . . . . 0.0 110.505 -166.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -147.19 2.82 0.85 Allowed Glycine 0 CA--C 1.542 1.765 0 CA-C-N 120.121 1.328 . . . . 0.0 116.011 -175.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -80.03 -138.25 1.86 Allowed Glycine 0 CA--C 1.537 1.44 0 CA-C-N 118.905 1.353 . . . . 0.0 113.235 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 66.9 m -46.95 -24.89 0.68 Allowed 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 126.007 1.723 . . . . 0.0 115.543 169.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -53.31 -43.29 67.45 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 169.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 59.8 tp -68.84 -19.19 64.25 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.106 0.962 . . . . 0.0 112.645 -169.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.77 -20.85 53.41 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 124.71 1.204 . . . . 0.0 113.281 168.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 mp -74.43 -44.87 47.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 121.264 -0.898 . . . . 0.0 110.319 174.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -68.54 -40.95 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 123.635 0.774 . . . . 0.0 112.963 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 63.4 m -55.16 -59.63 4.5 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 124.269 1.028 . . . . 0.0 113.357 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' HA ' ' CZ ' ' A' ' 18' ' ' PHE . 9.6 p -63.62 -32.6 57.43 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 113.543 0.942 . . . . 0.0 113.543 -176.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.8 tp -62.43 -48.36 80.0 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 171.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.286 0.5 OUTLIER -70.06 -24.3 63.22 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-O 117.688 -1.149 . . . . 0.0 113.638 -169.378 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.415 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 29.2 p90 -95.74 -40.08 9.55 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.595 1.332 . . . . 0.0 114.595 172.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -64.3 -32.58 74.24 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 120.478 -1.389 . . . . 0.0 111.759 -176.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -64.91 -48.41 74.28 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 124.716 1.206 . . . . 0.0 111.876 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.71 -35.07 29.38 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 126.209 1.804 . . . . 0.0 112.639 172.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.8 t -84.58 -35.22 22.91 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.733 0.813 . . . . 0.0 112.013 -176.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.9 t -59.42 -18.33 38.24 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.978 1.473 . . . . 0.0 114.978 -170.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.4 m -62.48 -61.08 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.387 0 O-C-N 120.975 -1.078 . . . . 0.0 113.432 172.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -88.54 -8.27 55.07 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 -176.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.91 -173.42 4.57 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.02 0.928 . . . . 0.0 113.067 -161.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -65.33 -44.58 87.35 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 114.75 1.389 . . . . 0.0 114.75 176.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 52.47 -117.24 6.14 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 124.18 0.895 . . . . 0.0 113.314 172.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.3 mt -39.0 135.24 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 128.126 2.571 . . . . 0.0 114.691 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 C--O 1.256 1.398 0 C-N-CA 126.418 1.887 . . . . 0.0 110.475 164.461 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.4 mtm . . . . . 0 N--CA 1.477 0.914 0 N-CA-C 110.394 -0.224 . . . . 0.0 110.394 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 ptm180 -149.57 149.44 30.7 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.972 1.309 . . . . 0.0 112.1 173.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -62.42 -47.74 82.75 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 124.871 1.269 . . . . 0.0 113.958 -169.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -96.08 172.46 7.98 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 125.861 1.664 . . . . 0.0 112.203 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -156.36 -141.1 0.09 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.324 1.45 . . . . 0.0 109.784 -170.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -140.68 -0.42 1.78 Allowed Glycine 0 CA--C 1.539 1.577 0 C-N-CA 125.058 1.314 . . . . 0.0 115.194 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.07 -131.77 0.77 Allowed Glycine 0 CA--C 1.538 1.49 0 CA-C-N 119.216 1.508 . . . . 0.0 113.781 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.5 m -53.56 -25.69 18.23 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 174.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -54.02 -42.87 69.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.466 1.106 . . . . 0.0 113.556 171.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 63.7 tp -69.19 -23.99 63.99 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 121.228 -0.92 . . . . 0.0 112.204 -170.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.11 -16.82 61.23 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.426 1.091 . . . . 0.0 113.829 170.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.1 mp -77.09 -45.76 29.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-N 119.179 0.899 . . . . 0.0 109.665 170.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.9 t -68.76 -42.23 82.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 113.92 1.081 . . . . 0.0 113.92 178.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.7 m -51.85 -60.22 3.43 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.456 1.102 . . . . 0.0 113.179 -178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.4 p -68.32 -27.05 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -178.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.0 tp -62.46 -40.79 97.77 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-O 118.576 -0.726 . . . . 0.0 109.867 167.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.47 -42.75 12.56 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.641 1.719 . . . . 0.0 115.641 -166.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -78.99 -31.08 44.72 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 120.409 1.459 . . . . 0.0 109.519 -173.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.2 m -58.07 -28.0 64.16 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.257 1.023 . . . . 0.0 113.157 172.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -72.98 -51.35 18.64 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.922 0.889 . . . . 0.0 111.159 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.38 -33.9 45.36 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 125.965 1.706 . . . . 0.0 112.748 169.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -88.96 -19.44 25.73 Favored 'General case' 0 CA--C 1.536 0.423 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -173.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.58 -7.6 4.98 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.931 1.692 . . . . 0.0 114.667 -170.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.27 -41.69 20.96 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 C-N-CA 126.558 1.943 . . . . 0.0 113.578 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -97.59 -1.23 44.29 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 126.307 1.843 . . . . 0.0 113.704 -179.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -156.82 -179.14 7.91 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.736 0.815 . . . . 0.0 112.558 -165.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -57.92 -43.22 86.1 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.88 0.872 . . . . 0.0 112.293 166.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 53.24 -107.04 0.5 Allowed Glycine 0 CA--C 1.524 0.643 0 C-N-CA 126.574 2.035 . . . . 0.0 113.608 176.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 85.6 mt -50.4 124.59 3.31 Favored 'Isoleucine or valine' 0 C--O 1.238 0.468 0 C-N-CA 127.016 2.126 . . . . 0.0 111.611 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? . . . . . 0 C--O 1.25 1.088 0 C-N-CA 125.618 1.567 . . . . 0.0 111.492 -173.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 tmt? . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -118.23 150.52 39.3 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.926 1.691 . . . . 0.0 111.366 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -147.85 -3.87 0.51 Allowed 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 117.316 2.339 . . . . 0.0 117.316 -170.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -96.46 163.37 13.08 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -167.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -148.01 -151.48 0.39 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 126.935 2.094 . . . . 0.0 109.882 -166.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.81 9.72 1.61 Allowed Glycine 0 CA--C 1.538 1.484 0 CA-C-N 119.483 1.038 . . . . 0.0 115.418 -172.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.5 -132.4 1.38 Allowed Glycine 0 CA--C 1.535 1.308 0 C-N-CA 125.514 1.53 . . . . 0.0 113.348 176.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.1 m -49.06 -28.39 4.06 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 169.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -54.41 -43.18 71.28 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.493 1.517 . . . . 0.0 113.77 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 67.7 tp -68.87 -26.66 65.24 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.311 -0.868 . . . . 0.0 112.367 -171.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.5 -22.24 64.93 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.127 0.971 . . . . 0.0 112.859 172.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.8 mp -79.0 -39.85 21.96 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.102 0 CA-C-N 118.695 0.679 . . . . 0.0 111.255 175.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.6 t -67.21 -42.8 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.9 0.88 . . . . 0.0 112.893 173.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -54.7 -49.85 69.72 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.544 0.942 . . . . 0.0 113.544 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.0 p -72.6 -32.42 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -176.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.9 tp -61.33 -45.34 94.84 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.289 0.8 OUTLIER -74.56 -18.91 60.51 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.888 1.44 . . . . 0.0 114.888 -166.006 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.469 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 25.0 p90 -98.29 -35.28 10.39 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 118.909 0.777 . . . . 0.0 111.281 169.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 62.7 m -59.59 -37.33 78.25 Favored 'General case' 0 N--CA 1.472 0.635 0 O-C-N 120.931 -1.106 . . . . 0.0 112.988 -178.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.9 mm-40 -68.77 -45.39 71.49 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.674 1.189 . . . . 0.0 111.974 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.85 -35.98 73.82 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.516 1.926 . . . . 0.0 112.632 170.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.9 t -72.57 -40.17 66.82 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 123.924 0.89 . . . . 0.0 111.556 -176.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 t -66.41 -2.06 4.16 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -161.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.2 m -94.4 -36.95 7.46 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 125.984 1.714 . . . . 0.0 114.085 171.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -100.1 -3.43 31.88 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 126.028 1.731 . . . . 0.0 113.61 179.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -165.37 -173.33 2.78 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 127.364 2.266 . . . . 0.0 110.27 -169.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 67.9 mtm-85 -69.79 -51.78 30.88 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 120.874 -1.141 . . . . 0.0 113.356 176.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.55 -109.74 3.08 Favored Glycine 0 CA--C 1.537 1.448 0 CA-C-N 119.405 1.002 . . . . 0.0 114.36 167.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 70.0 mt -42.75 129.51 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 127.306 2.243 . . . . 0.0 113.412 177.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 C--O 1.254 1.33 0 CA-C-O 116.584 -1.674 . . . . 0.0 112.744 178.843 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.7 mmt . . . . . 0 N--CA 1.476 0.839 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 88.6 mtm-85 -58.44 141.87 50.32 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.366 1.066 . . . . 0.0 113.414 178.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -67.92 -31.57 71.43 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.349 1.86 . . . . 0.0 111.89 168.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.412 ' CD2' ' CZ2' ' A' ' 9' ' ' TRP . 33.2 m80 -85.68 143.84 28.16 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 127.524 2.33 . . . . 0.0 111.479 178.152 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -141.98 -146.53 0.19 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.45 1.1 . . . . 0.0 112.007 -165.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -146.03 69.46 0.38 Allowed Glycine 0 N--CA 1.466 0.639 0 N-CA-C 108.966 -1.654 . . . . 0.0 108.966 -170.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.27 -145.68 4.33 Favored Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.108 1.337 . . . . 0.0 110.518 -168.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.5 m -53.84 -23.92 13.97 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 114.809 1.411 . . . . 0.0 114.809 167.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.412 ' CZ2' ' CD2' ' A' ' 4' ' ' HIS . 7.0 t-105 -52.25 -36.24 51.96 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.532 1.133 . . . . 0.0 113.557 173.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.74 -21.9 66.64 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.154 -0.966 . . . . 0.0 112.719 178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.78 -23.3 67.31 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 119.821 1.191 . . . . 0.0 112.925 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.6 mp -81.05 -34.88 13.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 125.006 1.322 . . . . 0.0 111.51 172.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.0 t -74.94 -38.54 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.876 1.271 . . . . 0.0 112.502 178.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.1 m -56.85 -53.93 52.24 Favored 'General case' 0 C--N 1.333 -0.114 0 C-N-CA 126.465 1.906 . . . . 0.0 113.133 175.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.2 p -62.47 -32.45 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 O-C-N 121.266 -0.896 . . . . 0.0 113.098 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 50.6 tp -73.29 -14.28 61.28 Favored 'General case' 0 CA--C 1.552 1.033 0 C-N-CA 124.623 1.169 . . . . 0.0 113.302 172.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.288 0.3 OUTLIER -94.27 -43.24 8.52 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 125.013 1.325 . . . . 0.0 113.352 175.122 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 13.2 p90 -87.66 -29.24 21.31 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.341 1.428 . . . . 0.0 110.554 -173.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.0 m -57.97 -23.92 55.86 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -75.95 -50.58 14.54 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.461 1.504 . . . . 0.0 112.08 -175.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.85 64.91 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 125.979 1.712 . . . . 0.0 111.629 162.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 m -85.92 7.91 22.38 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.693 0.797 . . . . 0.0 112.292 -179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -112.22 21.14 16.12 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.568 2.347 . . . . 0.0 111.435 177.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 99.5 t -103.86 -75.43 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 C-N-CA 126.196 1.798 . . . . 0.0 108.137 -173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -87.25 8.17 25.31 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.332 1.853 . . . . 0.0 113.898 171.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.73 178.93 8.86 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.193 1.797 . . . . 0.0 110.807 -178.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.26 -55.2 8.55 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 -178.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 67.92 -97.49 0.43 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.318 0.961 . . . . 0.0 115.301 171.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 58.8 mt -52.83 140.74 7.95 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 C-N-CA 126.494 1.917 . . . . 0.0 111.861 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 40.4 mmtm . . . . . 0 C--O 1.252 1.219 0 C-N-CA 125.868 1.667 . . . . 0.0 112.816 -178.68 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.5 tpp . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 118.552 -0.737 . . . . 0.0 110.036 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -125.38 145.49 50.02 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.116 0.967 . . . . 0.0 113.215 -176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -76.93 23.15 0.18 Allowed 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 125.502 1.521 . . . . 0.0 114.872 -173.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.6 m80 -118.01 131.13 56.5 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.678 1.191 . . . . 0.0 111.925 -164.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.1 -135.09 0.05 Allowed 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 126.265 1.826 . . . . 0.0 110.279 -168.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -139.86 3.82 2.61 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.196 1.379 . . . . 0.0 115.171 -178.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -82.09 -137.52 2.54 Favored Glycine 0 CA--C 1.536 1.348 0 C-N-CA 126.333 1.92 . . . . 0.0 113.873 177.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 62.9 m -51.98 -25.39 8.22 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.57 1.548 . . . . 0.0 114.466 171.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -53.35 -42.81 67.17 Favored 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.839 1.052 . . . . 0.0 113.839 170.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.9 tp -67.86 -22.65 65.11 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.07 -1.019 . . . . 0.0 112.49 -171.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.99 -13.31 57.47 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.431 1.092 . . . . 0.0 113.784 170.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.7 mp -86.83 -33.4 6.97 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.109 0 CA-C-N 119.224 0.92 . . . . 0.0 111.608 170.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.4 t -67.52 -39.31 82.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 C-N-CA 123.862 0.865 . . . . 0.0 112.097 168.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.0 m -49.43 -56.47 9.59 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.758 1.223 . . . . 0.0 113.795 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 10.6 p -66.81 -31.19 52.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 114.095 1.146 . . . . 0.0 114.095 -175.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.78 -50.12 68.03 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 166.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.251 0.5 OUTLIER -68.21 -32.22 72.29 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -168.336 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.5 p90 -85.02 -35.03 22.19 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.948 0.795 . . . . 0.0 112.871 174.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 31.9 m -56.85 -39.92 75.14 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.163 -0.961 . . . . 0.0 112.178 173.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.0 mm-40 -71.25 -44.02 66.11 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.141 1.376 . . . . 0.0 111.806 178.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.85 -34.04 65.08 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.866 1.266 . . . . 0.0 112.297 168.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.5 t -83.55 -40.34 19.25 Favored 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.077 0.951 . . . . 0.0 111.948 -171.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.7 t -57.03 -26.19 59.88 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 114.717 1.377 . . . . 0.0 114.717 -167.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 27.1 m -75.14 -40.36 44.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 C-N-CA 125.335 1.454 . . . . 0.0 114.512 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -97.69 -6.03 33.94 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.664 1.585 . . . . 0.0 114.047 -179.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -162.17 -156.24 0.41 Allowed 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 124.789 1.235 . . . . 0.0 112.558 -163.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -75.46 -55.31 5.81 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.156 1.383 . . . . 0.0 112.953 172.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 59.25 -116.56 9.03 Favored Glycine 0 CA--C 1.53 0.994 0 C-N-CA 125.715 1.626 . . . . 0.0 112.968 174.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.7 mt -49.11 -46.43 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 C-N-CA 126.226 1.81 . . . . 0.0 113.653 176.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.8 tttt . . . . . 0 C--O 1.252 1.188 0 C-N-CA 124.61 1.164 . . . . 0.0 114.038 -172.062 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.4 tpp . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 41.8 ttm180 -70.45 130.75 42.74 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.774 1.23 . . . . 0.0 112.578 179.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.3 ttmt -61.69 -42.09 98.46 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.868 2.467 . . . . 0.0 113.807 172.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.5 m170 -80.56 156.72 26.33 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.302 1.841 . . . . 0.0 113.5 -179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.37 -149.16 0.14 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.711 1.604 . . . . 0.0 111.183 173.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -133.96 70.32 0.51 Allowed Glycine 0 C--N 1.337 0.612 0 C-N-CA 127.383 2.42 . . . . 0.0 108.861 -178.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.18 -139.62 3.52 Favored Glycine 0 CA--C 1.532 1.139 0 C-N-CA 124.183 0.897 . . . . 0.0 111.572 -162.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.8 m -54.48 -18.4 4.23 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 116.397 1.999 . . . . 0.0 116.397 175.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.8 t-105 -62.55 -37.35 85.81 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 113.874 1.064 . . . . 0.0 113.874 171.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.7 mt -64.92 -21.19 66.78 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.059 -1.026 . . . . 0.0 112.586 -178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.41 66.85 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 173.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.2 mp -78.29 -42.41 26.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 123.973 0.909 . . . . 0.0 110.853 169.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 t -68.72 -45.78 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 124.614 1.165 . . . . 0.0 113.199 -177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -55.52 -57.36 12.22 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 124.611 1.165 . . . . 0.0 113.151 -176.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.32 -31.54 54.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.0 tp -63.41 -47.68 80.96 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 169.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.287 0.5 OUTLIER -69.0 -32.87 72.72 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 118.508 -0.758 . . . . 0.0 112.762 -169.238 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -85.27 -33.99 22.03 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 114.517 1.303 . . . . 0.0 114.517 173.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 25.3 m -55.02 -42.31 72.4 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.844 -1.16 . . . . 0.0 112.879 173.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.2 mm-40 -75.61 -36.73 60.2 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 125.139 1.375 . . . . 0.0 112.408 -176.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.11 -42.48 69.48 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 126.29 1.836 . . . . 0.0 112.192 161.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.9 t -80.59 -39.95 26.64 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 121.182 -0.949 . . . . 0.0 112.236 -169.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -64.82 -10.39 27.71 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.722 1.378 . . . . 0.0 114.722 -167.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.7 m -72.15 -48.54 48.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 114.822 1.415 . . . . 0.0 114.822 175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -104.32 -0.49 28.15 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.664 1.585 . . . . 0.0 113.057 -179.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -154.19 -164.34 1.83 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 125.041 1.337 . . . . 0.0 111.809 -169.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 79.2 mtt85 -72.83 -57.46 4.06 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.293 1.037 . . . . 0.0 111.288 174.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.91 -110.67 3.61 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 126.063 1.792 . . . . 0.0 112.471 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.8 mt -42.65 125.12 0.64 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 126.736 2.015 . . . . 0.0 112.055 172.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 72.7 tttt . . . . . 0 C--O 1.254 1.326 0 C-N-CA 126.295 1.838 . . . . 0.0 110.428 176.091 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptm . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -98.25 -156.88 0.56 Allowed 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.837 1.255 . . . . 0.0 111.822 -176.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.1 tppt? 58.82 70.41 0.65 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 126.811 2.044 . . . . 0.0 112.109 -174.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -93.48 78.36 4.39 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.398 1.479 . . . . 0.0 111.556 -175.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.65 -150.79 0.18 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 124.819 1.248 . . . . 0.0 113.109 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -134.49 44.05 1.21 Allowed Glycine 0 N--CA 1.473 1.121 0 C-N-CA 127.156 2.313 . . . . 0.0 110.957 -175.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.11 -133.05 1.61 Allowed Glycine 0 CA--C 1.527 0.813 0 C-N-CA 125.922 1.725 . . . . 0.0 110.364 -165.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 57.1 m -49.47 -23.66 1.66 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 176.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 8.0 t-105 -60.86 -40.73 94.02 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 171.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.45 -27.89 68.88 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 124.307 1.043 . . . . 0.0 112.041 -175.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.85 -38.75 70.51 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.94 0.896 . . . . 0.0 112.559 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.54 -37.55 64.4 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.854 0 C-N-CA 125.222 1.409 . . . . 0.0 111.443 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.6 t -68.56 -45.65 81.4 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 C-N-CA 123.923 0.889 . . . . 0.0 112.475 173.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 59.5 m -54.31 -53.07 58.79 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 125.067 1.347 . . . . 0.0 113.178 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.424 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 7.8 p -67.41 -32.65 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.3 tp -63.21 -46.58 86.32 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 168.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.27 0.5 OUTLIER -67.91 -36.4 80.11 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.122 -0.986 . . . . 0.0 113.364 -164.499 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.424 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 11.8 p90 -84.1 -29.45 26.76 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.043 0.838 . . . . 0.0 109.756 179.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 74.3 m -67.48 -31.23 71.24 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.008 -1.058 . . . . 0.0 112.005 176.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 69.5 mm-40 -83.62 -38.62 21.34 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.56 1.144 . . . . 0.0 112.236 176.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -50.79 -34.68 28.46 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.933 1.293 . . . . 0.0 112.542 165.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.0 p -93.78 1.29 56.52 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.521 1.528 . . . . 0.0 114.829 -179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.455 ' HB2' HD11 ' A' ' 29' ' ' ILE . 52.1 p -79.11 -14.55 59.06 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.377 1.621 . . . . 0.0 115.377 178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 m -73.93 -38.92 50.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 O-C-N 120.753 -1.217 . . . . 0.0 114.239 -155.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -125.04 14.19 8.45 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.508 1.523 . . . . 0.0 111.336 173.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -150.53 173.33 14.21 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.006 0.922 . . . . 0.0 113.16 -171.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -59.67 -44.81 93.45 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 118.027 -0.987 . . . . 0.0 111.834 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.77 -105.39 1.16 Allowed Glycine 0 CA--C 1.529 0.959 0 C-N-CA 125.6 1.572 . . . . 0.0 112.142 172.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 23' ' ' SER . 0.1 OUTLIER -43.35 135.51 1.01 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 C-N-CA 128.275 2.63 . . . . 0.0 114.272 174.062 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.0 mptt . . . . . 0 C--O 1.253 1.249 0 C-N-CA 126.569 1.948 . . . . 0.0 114.678 -176.787 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -75.75 102.05 5.28 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.858 -1.151 . . . . 0.0 113.097 -174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -74.63 -7.08 52.08 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.929 1.291 . . . . 0.0 114.473 176.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -80.21 165.65 22.19 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 125.583 1.553 . . . . 0.0 112.671 -174.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -158.23 -143.1 0.1 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.898 1.679 . . . . 0.0 110.432 -179.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -149.06 97.92 0.18 Allowed Glycine 0 C--N 1.335 0.514 0 N-CA-C 105.895 -2.882 . . . . 0.0 105.895 177.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.24 -144.18 8.82 Favored Glycine 0 CA--C 1.533 1.175 0 N-CA-C 112.071 -0.412 . . . . 0.0 112.071 -158.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.2 m -56.29 -18.87 11.9 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 115.664 1.727 . . . . 0.0 115.664 170.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -57.15 -35.96 70.16 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 169.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -62.49 -21.54 65.57 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 121.58 -0.7 . . . . 0.0 112.432 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.74 -24.81 67.88 Favored 'General case' 0 CA--C 1.547 0.827 0 CA-C-N 119.182 0.901 . . . . 0.0 113.356 175.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 4.8 mp -79.27 -38.73 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.261 1.024 . . . . 0.0 111.476 173.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 t -70.86 -45.69 72.04 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.976 1.31 . . . . 0.0 113.269 178.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -52.61 -53.71 43.08 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 125.207 1.403 . . . . 0.0 112.698 178.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 p -65.99 -32.38 57.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 -177.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 10.2 tp -63.56 -46.22 86.89 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 118.852 0.751 . . . . 0.0 109.399 169.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.281 0.5 OUTLIER -72.67 -19.64 61.39 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -170.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . 0.306 24.3 p90 -94.55 -33.95 12.85 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 116.63 2.085 . . . . 0.0 116.63 164.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.6 m -53.36 -38.8 63.65 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 121.004 -1.06 . . . . 0.0 113.006 176.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -74.86 -43.83 52.35 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.205 1.002 . . . . 0.0 110.7 -177.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -30.74 54.42 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 126.504 1.921 . . . . 0.0 113.852 167.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 t -79.91 -40.34 28.43 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 124.086 0.954 . . . . 0.0 112.106 -178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 t -65.75 -7.78 17.62 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 115.49 1.663 . . . . 0.0 115.49 -162.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 16.0 m -87.48 -31.87 6.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 C-N-CA 126.742 2.017 . . . . 0.0 113.698 174.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -98.89 -12.77 20.43 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.745 1.218 . . . . 0.0 113.277 174.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -161.01 -165.39 1.35 Allowed 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.694 1.198 . . . . 0.0 111.73 -162.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 47.3 mtm180 -72.03 -55.25 7.72 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 123.674 0.79 . . . . 0.0 111.666 176.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 64.22 -112.98 5.45 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 124.043 0.83 . . . . 0.0 112.533 177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.7 mt -38.75 137.82 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 128.668 2.787 . . . . 0.0 113.875 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 pttm . . . . . 0 C--O 1.254 1.337 0 C-N-CA 126.196 1.798 . . . . 0.0 113.136 175.769 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ppp? . . . . . 0 N--CA 1.481 1.105 0 CA-C-O 120.428 0.156 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.6 mmm-85 -79.1 135.27 36.8 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.59 1.556 . . . . 0.0 114.023 -173.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -78.61 -29.26 45.91 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.849 2.06 . . . . 0.0 114.561 176.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -94.07 146.31 24.05 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 125.651 1.581 . . . . 0.0 112.096 -175.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -154.44 -128.32 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.882 1.673 . . . . 0.0 109.352 -178.4 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -150.81 -1.48 0.28 Allowed Glycine 0 CA--C 1.54 1.621 0 C-N-CA 125.408 1.48 . . . . 0.0 115.336 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 -137.12 2.23 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.718 1.628 . . . . 0.0 112.031 171.462 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.2 m -52.78 -20.0 2.89 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 116.473 2.027 . . . . 0.0 116.473 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -54.75 -40.38 69.27 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 119.262 0.937 . . . . 0.0 113.142 167.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 tp -68.39 -21.56 64.68 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.091 1.356 . . . . 0.0 113.057 -171.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.42 -22.95 63.97 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 124.279 1.032 . . . . 0.0 112.819 169.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 mp -76.19 -42.67 37.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 121.426 -0.796 . . . . 0.0 110.293 173.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 t -65.04 -39.73 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 O-C-N 121.588 -0.695 . . . . 0.0 112.426 175.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 65.8 m -53.26 -56.3 17.64 Favored 'General case' 0 N--CA 1.463 0.198 0 N-CA-C 113.553 0.946 . . . . 0.0 113.553 176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.439 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 11.4 p -66.59 -32.9 60.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -176.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 24.6 tp -62.79 -47.11 84.88 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 170.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.34 -31.5 68.82 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 113.358 0.873 . . . . 0.0 113.358 -166.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CE2' ' HA ' ' A' ' 15' ' ' VAL . 10.5 p90 -90.54 -30.01 17.51 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 118.443 0.565 . . . . 0.0 110.462 177.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.5 m -61.08 -37.1 81.51 Favored 'General case' 0 N--CA 1.474 0.755 0 O-C-N 120.906 -1.121 . . . . 0.0 112.437 175.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 18.9 mm-40 -70.52 -47.04 62.38 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.784 1.234 . . . . 0.0 111.325 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.04 -36.58 50.76 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 125.527 1.531 . . . . 0.0 112.644 167.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.8 m -89.35 -19.27 25.46 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -171.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 46.2 t -59.27 -17.15 26.12 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 114.592 1.33 . . . . 0.0 114.592 -175.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 m -72.8 -62.12 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.209 1.404 . . . . 0.0 113.966 164.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 pttt -77.61 -8.6 58.12 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -155.22 -179.18 7.83 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.559 1.544 . . . . 0.0 111.461 -167.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 71.1 mtt85 -57.17 -47.7 80.55 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 169.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 66.1 -122.05 20.33 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 125.269 1.414 . . . . 0.0 113.365 172.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 80.6 mt -44.82 128.09 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.41 0 C-N-CA 128.527 2.731 . . . . 0.0 113.515 -174.702 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.0 ptmt . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.856 2.062 . . . . 0.0 111.612 169.244 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 N--CA 1.481 1.11 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -59.27 145.87 41.47 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 -178.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -63.61 -48.33 77.75 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 124.799 1.239 . . . . 0.0 113.734 177.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -84.56 72.37 10.67 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.212 1.805 . . . . 0.0 112.955 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -82.03 -148.19 0.07 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.272 1.429 . . . . 0.0 112.309 171.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -145.23 62.02 0.48 Allowed Glycine 0 N--CA 1.47 0.902 0 C-N-CA 125.686 1.612 . . . . 0.0 109.591 -170.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.3 -130.34 1.28 Allowed Glycine 0 CA--C 1.526 0.766 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -161.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 58.7 m -51.57 -31.22 23.77 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 114.713 1.375 . . . . 0.0 114.713 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -53.94 -37.94 64.39 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 173.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 54.5 mt -62.8 -26.99 69.0 Favored 'General case' 0 N--CA 1.467 0.376 0 O-C-N 121.184 -0.948 . . . . 0.0 111.899 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.17 -32.51 72.24 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.815 0.734 . . . . 0.0 112.666 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.8 mp -66.68 -44.31 89.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.484 1.514 . . . . 0.0 111.302 176.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.55 -45.45 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 125.314 1.446 . . . . 0.0 111.013 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -58.86 -54.16 50.28 Favored 'General case' 0 C--N 1.333 -0.138 0 C-N-CA 125.973 1.709 . . . . 0.0 113.643 179.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.9 p -63.89 -34.44 68.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 O-C-N 121.346 -0.846 . . . . 0.0 113.183 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 36.8 tp -67.42 -37.25 82.74 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 123.029 0.532 . . . . 0.0 109.857 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . 0.265 0.3 OUTLIER -69.27 -42.09 76.01 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 120.996 -1.065 . . . . 0.0 112.299 -178.74 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -83.47 -31.85 26.32 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 -177.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.5 m -57.0 -36.24 70.16 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 121.136 -0.978 . . . . 0.0 113.081 176.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -74.22 -42.24 60.08 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.429 1.492 . . . . 0.0 111.907 -178.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -30.97 70.87 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 125.987 1.715 . . . . 0.0 112.54 167.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.8 t -80.68 -41.85 23.0 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 124.177 0.991 . . . . 0.0 110.914 -175.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 t -67.62 3.64 1.33 Allowed 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 115.506 1.669 . . . . 0.0 115.506 -165.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 m -98.56 -43.6 11.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 C-N-CA 126.958 2.103 . . . . 0.0 112.654 171.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -93.74 -7.84 42.44 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 126.484 1.914 . . . . 0.0 113.127 -179.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -163.42 -174.13 3.63 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.169 2.188 . . . . 0.0 110.551 -167.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.7 mtt180 -64.16 -50.07 69.6 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.004 0.922 . . . . 0.0 112.554 177.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 61.69 -126.24 38.83 Favored Glycine 0 CA--C 1.539 1.536 0 O-C-N 121.647 -0.658 . . . . 0.0 112.319 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.6 mt -42.83 111.6 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.019 0 C-N-CA 127.383 2.273 . . . . 0.0 113.174 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 83.3 tttt . . . . . 0 C--O 1.251 1.134 0 CA-C-O 117.306 -1.331 . . . . 0.0 112.337 177.371 . . . . . . . . 0 0 . 1 stop_ save_